Index

A

accept_amputation() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) accept_insertion() (fullrmc.Core.Constraint.Constraint method) accept_move() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) accepted (fullrmc.Core.Constraint.Constraint attribute) activeAtomsDataAfterMove (fullrmc.Core.Constraint.Constraint attribute) activeAtomsDataBeforeMove (fullrmc.Core.Constraint.Constraint attribute) add_listener() (fullrmc.Core.Collection.Broadcaster method) adjustMoveGenerators (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector attribute) adjustScaleFactor (fullrmc.Core.Constraint.ExperimentalConstraint attribute) adjustScaleFactorFrequency (fullrmc.Core.Constraint.ExperimentalConstraint attribute) adjustScaleFactorMaximum (fullrmc.Core.Constraint.ExperimentalConstraint attribute) adjustScaleFactorMinimum (fullrmc.Core.Constraint.ExperimentalConstraint attribute) afterMoveStandardError (fullrmc.Core.Constraint.Constraint attribute) agitate (fullrmc.Generators.Agitations.AngleAgitationGenerator attribute) (fullrmc.Generators.Agitations.DistanceAgitationGenerator attribute) all_atoms_coord_number_coords() (in module fullrmc.Core.atomic_coordination) all_atoms_coord_number_totdists() (in module fullrmc.Core.atomic_coordination)

allowFittingScaleFactor (fullrmc.Core.MoveGenerator.RemoveGenerator attribute) allTypes (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) amplitude (fullrmc.Generators.Agitations.AngleAgitationGenerator attribute) (fullrmc.Generators.Agitations.DistanceAgitationGenerator attribute) (fullrmc.Generators.Rotations.RotationGenerator attribute) (fullrmc.Generators.Translations.TranslationGenerator attribute) amputationData (fullrmc.Core.Constraint.Constraint attribute) amputationStandardError (fullrmc.Core.Constraint.Constraint attribute) angle (fullrmc.Generators.Translations.TranslationTowardsAxisGenerator attribute) (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator attribute) (fullrmc.Generators.Translations.TranslationTowardsSymmetryAxisGenerator attribute) AngleAgitationGenerator (class in fullrmc.Generators.Agitations) angles (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint attribute) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint attribute) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint attribute) anglesDefinition (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint attribute) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint attribute) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint attribute) anglesList (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint attribute) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint attribute) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint attribute) append_to_swap_list() (fullrmc.Core.MoveGenerator.SwapGenerator method) asCoreDefIdxs (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) assert_singular() (fullrmc.Core.Constraint.SingularConstraint method) AtomicCoordinationNumberConstraint (class in fullrmc.Constraints.AtomicCoordinationConstraints) atomsList (fullrmc.Core.MoveGenerator.RemoveGenerator attribute) AtomsRemoveGenerator (class in fullrmc.Generators.Removes) atomsWeight (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) axis (fullrmc.Generators.Rotations.RotationAboutAxisGenerator attribute) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisGenerator attribute) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath attribute) (fullrmc.Generators.Translations.TranslationAlongAxisGenerator attribute) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator attribute) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath attribute)

B

bias (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) bias_scheme_at_position() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) bias_scheme_by_index() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) biasBins (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) BiasedRandomFloatGenerator (class in fullrmc.Core.Collection) BiasedRandomIntegerGenerator (class in fullrmc.Core.Collection) biasFactor (fullrmc.Selectors.RandomSelectors.SmartRandomSelector attribute) biasFWHM (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) biasFWHMBins (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) biasGuassian (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) biasRange (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute)

bin (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) bins (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator attribute) binWidth (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) BondConstraint (class in fullrmc.Constraints.BondConstraints) bonds (fullrmc.Constraints.BondConstraints.BondConstraint attribute) BondsAngleConstraint (class in fullrmc.Constraints.AngleConstraints) bondsDefinition (fullrmc.Constraints.BondConstraints.BondConstraint attribute) bondsList (fullrmc.Constraints.BondConstraints.BondConstraint attribute) box_coordinates_real_distances() (in module fullrmc.Core.boundary_conditions_collection) broadcast() (fullrmc.Core.Collection.Broadcaster method) Broadcaster (class in fullrmc.Core.Collection)

C

center (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator attribute) (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector attribute) check_experimental_data() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) check_group() (fullrmc.Core.MoveGenerator.MoveGenerator method) (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator method) (fullrmc.Core.MoveGenerator.RemoveGenerator method) (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) (fullrmc.Generators.Rotations.OrientationGenerator method) (fullrmc.Generators.Rotations.RotationAboutAxisGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath method) (fullrmc.Generators.Rotations.RotationGenerator method) (fullrmc.Generators.Swaps.SwapCentersGenerator method) (fullrmc.Generators.Swaps.SwapPositionsGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath method) (fullrmc.Generators.Translations.TranslationGenerator method) check_path() (fullrmc.Core.MoveGenerator.PathGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath method) collection (fullrmc.Core.MoveGenerator.MoveGeneratorCollector attribute) combination (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator attribute) computationCost (fullrmc.Core.Constraint.Constraint attribute) compute_after_move() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) compute_as_if_amputated() (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method)

compute_as_if_inserted() (fullrmc.Core.Constraint.Constraint method) compute_before_move() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) compute_data() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) compute_standard_error() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) Constraint (class in fullrmc.Core.Constraint) constraintId (fullrmc.Core.Constraint.Constraint attribute) constraintName (fullrmc.Core.Constraint.Constraint attribute) convert_Gr_to_gr() (in module fullrmc.Core.Collection) coordinationNumberDefinition (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) coordNumDef (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) coresIndexes (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) create_angles_by_definition() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) create_bonds_by_definition() (fullrmc.Constraints.BondConstraints.BondConstraint method) currentRecur (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute)

D

data (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) (fullrmc.Core.Constraint.Constraint attribute) dataWeights (fullrmc.Core.Constraint.ExperimentalConstraint attribute) defaultDistance (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) DefinedOrderSelector (class in fullrmc.Selectors.OrderedSelectors) DihedralAngleConstraint (class in fullrmc.Constraints.DihedralAngleConstraints)

direction (fullrmc.Generators.Translations.TranslationAlongAxisGenerator attribute) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator attribute) (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator attribute) DirectionalOrderSelector (class in fullrmc.Selectors.OrderedSelectors) DistanceAgitationGenerator (class in fullrmc.Generators.Agitations) dq (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) dr (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute)

E

elementsPairs (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) EmptyGroup (class in fullrmc.Core.Group) engine (fullrmc.Core.Constraint.Constraint attribute) (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) expand (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector attribute) ExperimentalConstraint (class in fullrmc.Core.Constraint) experimentalData (fullrmc.Core.Constraint.ExperimentalConstraint attribute)

experimentalDistances (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) experimentalPDF (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) experimentalQValues (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) experimentalSF (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) explore (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) export() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Core.Constraint.Constraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method)

F

find_example() (in module fullrmc.Examples) find_extrema() (in module fullrmc.Core.Collection) fit_scale_factor() (fullrmc.Core.Constraint.ExperimentalConstraint method) flexible (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) flip (fullrmc.Generators.Rotations.OrientationGenerator attribute) from_to_points_differences() (in module fullrmc.Core.pairs_distances) full_angles_coords() (in module fullrmc.Core.angles) full_atomic_distances_coords() (in module fullrmc.Core.atomic_distances) full_atomic_distances_dists() (in module fullrmc.Core.atomic_distances) full_bonds_coords() (in module fullrmc.Core.bonds) full_dihedral_angles_coords() (in module fullrmc.Core.dihedral_angles) full_improper_angles_coords() (in module fullrmc.Core.improper_angles) full_pairs_histograms_coords() (in module fullrmc.Core.pairs_histograms) full_pairs_histograms_dists() (in module fullrmc.Core.pairs_histograms) fullrmc (module) fullrmc.__pkginfo__ (module) fullrmc.Constraints.AngleConstraints (module) fullrmc.Constraints.AtomicCoordinationConstraints (module) fullrmc.Constraints.BondConstraints (module) fullrmc.Constraints.Collection (module) fullrmc.Constraints.DihedralAngleConstraints (module) fullrmc.Constraints.DistanceConstraints (module) fullrmc.Constraints.ImproperAngleConstraints (module) fullrmc.Constraints.PairCorrelationConstraints (module)

fullrmc.Constraints.PairDistributionConstraints (module) fullrmc.Constraints.StructureFactorConstraints (module) fullrmc.Core.angles (module) fullrmc.Core.atomic_coordination (module) fullrmc.Core.atomic_distances (module) fullrmc.Core.bonds (module) fullrmc.Core.boundary_conditions_collection (module) fullrmc.Core.Collection (module) fullrmc.Core.Constraint (module) fullrmc.Core.dihedral_angles (module) fullrmc.Core.Group (module) fullrmc.Core.GroupSelector (module) fullrmc.Core.improper_angles (module) fullrmc.Core.MoveGenerator (module) fullrmc.Core.pairs_distances (module) fullrmc.Core.pairs_histograms (module) fullrmc.Core.reciprocal_space (module) fullrmc.Examples (module) fullrmc.Generators.Agitations (module) fullrmc.Generators.Removes (module) fullrmc.Generators.Rotations (module) fullrmc.Generators.Swaps (module) fullrmc.Generators.Translations (module) fullrmc.Selectors.OrderedSelectors (module) fullrmc.Selectors.RandomSelectors (module)

G

gaussian() (in module fullrmc.Core.Collection) generate() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) (fullrmc.Core.Collection.RandomFloatGenerator method) (fullrmc.Core.Collection.RandomIntegerGenerator method) generate_points_on_sphere() (in module fullrmc.Core.Collection) generate_random_float() (in module fullrmc.Core.Collection) (in module fullrmc.Core.MoveGenerator) (in module fullrmc.Generators.Agitations) (in module fullrmc.Generators.Rotations) (in module fullrmc.Generators.Translations) (in module fullrmc.Selectors.RandomSelectors) generate_random_vector() (in module fullrmc.Core.Collection) generate_vectors_in_solid_angle() (in module fullrmc.Core.Collection) generatorsParams (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector attribute) generatorsWeight (fullrmc.Core.MoveGenerator.MoveGeneratorCollector attribute) get_adjusted_scale_factor() (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.StructureFactorConstraints.ReducedStructureFactorConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) get_available_examples() (in module fullrmc.Examples) get_caller_frames() (in module fullrmc.Core.Collection) get_constraint_original_value() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) get_constraint_value() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method)

get_constraints_properties() (fullrmc.Core.Constraint.Constraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) get_elapsed_time() (in module fullrmc.Core.Collection) get_examples_path() (in module fullrmc.Examples) get_Gr_shape_function() (fullrmc.Constraints.Collection.ShapeFunction method) get_gr_shape_function() (fullrmc.Constraints.Collection.ShapeFunction method) get_memory_usage() (in module fullrmc.Core.Collection) get_multiframe_weights() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) get_orientation_matrix() (in module fullrmc.Core.Collection) get_path() (in module fullrmc.Core.Collection) get_principal_axis() (in module fullrmc.Core.Collection) get_random_perpendicular_vector() (in module fullrmc.Core.Collection) get_ready_for_move() (fullrmc.Core.MoveGenerator.SwapGenerator method) get_real_elements_weight() (in module fullrmc.Core.Collection) get_reciprocal_basis() (in module fullrmc.Core.boundary_conditions_collection) get_rotation_matrix() (in module fullrmc.Core.Collection) get_superposition_transformation() (in module fullrmc.Core.Collection) Gr2SqMatrix (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) Gr_to_sq() (in module fullrmc.Core.reciprocal_space) gr_to_sq() (in module fullrmc.Core.reciprocal_space) Group (class in fullrmc.Core.Group) group (fullrmc.Core.MoveGenerator.MoveGenerator attribute) groupAtomsIndexes (fullrmc.Core.MoveGenerator.SwapGenerator attribute) groupAxis (fullrmc.Generators.Rotations.OrientationGenerator attribute) GroupSelector (class in fullrmc.Core.GroupSelector) groupsWeight (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector attribute)

H

histogramSize (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute)

I

ImproperAngleConstraint (class in fullrmc.Constraints.ImproperAngleConstraints) increment_accepted() (fullrmc.Core.Constraint.Constraint method) increment_tried() (fullrmc.Core.Constraint.Constraint method) index (fullrmc.Selectors.OrderedSelectors.DefinedOrderSelector attribute) indexes (fullrmc.Core.Group.EmptyGroup attribute) (fullrmc.Core.Group.Group attribute) inShellDefIdxs (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) InterMolecularDistanceConstraint (class in fullrmc.Constraints.DistanceConstraints) IntraMolecularDistanceConstraint (class in fullrmc.Constraints.DistanceConstraints) is_in_engine() (fullrmc.Core.Constraint.Constraint method)

is_integer() (in module fullrmc.Core.Collection) is_number() (in module fullrmc.Core.Collection) is_singular() (fullrmc.Core.Constraint.SingularConstraint method) isExploring (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) isNewSelection (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) isRecurring (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) isRefining (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute)

L

lastSelectedIndex (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) limits (fullrmc.Core.Constraint.ExperimentalConstraint attribute) limitsIndexEnd (fullrmc.Core.Constraint.ExperimentalConstraint attribute) limitsIndexStart (fullrmc.Core.Constraint.ExperimentalConstraint attribute) listen() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Collection.ListenerBase method)

ListenerBase (class in fullrmc.Core.Collection) listenerId (fullrmc.Core.Collection.ListenerBase attribute) listeners (fullrmc.Core.Collection.Broadcaster attribute) lowerLimit (fullrmc.Core.Collection.RandomFloatGenerator attribute) (fullrmc.Core.Collection.RandomIntegerGenerator attribute) lowerLimitArray (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) lowerShells (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute)

M

maxAtoms (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) maximumCollected (fullrmc.Core.MoveGenerator.RemoveGenerator attribute) maximumDistance (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) maximumOffsetAngle (fullrmc.Generators.Rotations.OrientationGenerator attribute) minAtoms (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) minimumDistance (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) move() (fullrmc.Core.MoveGenerator.MoveGenerator method) (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator method) (fullrmc.Core.MoveGenerator.PathGenerator method) (fullrmc.Core.MoveGenerator.RemoveGenerator method) move_accepted() (fullrmc.Core.GroupSelector.GroupSelector method) (fullrmc.Selectors.RandomSelectors.SmartRandomSelector method)

move_rejected() (fullrmc.Core.GroupSelector.GroupSelector method) (fullrmc.Selectors.RandomSelectors.SmartRandomSelector method) MoveGenerator (class in fullrmc.Core.MoveGenerator) moveGenerator (fullrmc.Core.Group.EmptyGroup attribute) (fullrmc.Core.Group.Group attribute) MoveGeneratorCollector (class in fullrmc.Core.MoveGenerator) MoveGeneratorCombinator (class in fullrmc.Core.MoveGenerator) multi_atoms_coord_number_coords() (in module fullrmc.Core.atomic_coordination) multi_atoms_coord_number_totdists() (in module fullrmc.Core.atomic_coordination) multiframePrior (fullrmc.Core.Constraint.ExperimentalConstraint attribute) multiframeWeight (fullrmc.Core.Constraint.Constraint attribute) (fullrmc.Core.Constraint.ExperimentalConstraint attribute) multiple_atomic_distances_coords() (in module fullrmc.Core.atomic_distances) multiple_atomic_distances_dists() (in module fullrmc.Core.atomic_distances) multiple_pairs_histograms_coords() (in module fullrmc.Core.pairs_histograms) multiple_pairs_histograms_dists() (in module fullrmc.Core.pairs_histograms)

N

name (fullrmc.Core.Group.Group attribute) normalize_path() (fullrmc.Core.MoveGenerator.PathGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath method)

numberOfAtomsPerType (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) numberOfCores (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) numberOfTypes (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute)

O

order (fullrmc.Selectors.OrderedSelectors.DefinedOrderSelector attribute) orient() (in module fullrmc.Core.Collection) orientationAxis (fullrmc.Generators.Rotations.OrientationGenerator attribute) OrientationGenerator (class in fullrmc.Generators.Rotations)

originalData (fullrmc.Core.Constraint.Constraint attribute) originalWeights (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator attribute) override (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute)

P

PairCorrelationConstraint (class in fullrmc.Constraints.PairCorrelationConstraints) PairDistributionConstraint (class in fullrmc.Constraints.PairDistributionConstraints) pairs_differences_to_indexcoords() (in module fullrmc.Core.pairs_distances) pairs_differences_to_multi_indexcoords() (in module fullrmc.Core.pairs_distances) pairs_differences_to_multi_points() (in module fullrmc.Core.pairs_distances) pairs_differences_to_point() (in module fullrmc.Core.pairs_distances) pairs_distances_to_indexcoords() (in module fullrmc.Core.pairs_distances) pairs_distances_to_multi_indexcoords() (in module fullrmc.Core.pairs_distances) pairs_distances_to_multi_points() (in module fullrmc.Core.pairs_distances) pairs_distances_to_point() (in module fullrmc.Core.pairs_distances) pairsDistance (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) pairsDistanceDefinition (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) path (fullrmc.Core.MoveGenerator.PathGenerator attribute) PathGenerator (class in fullrmc.Core.MoveGenerator) pick_from_list() (fullrmc.Core.MoveGenerator.RemoveGenerator method) (fullrmc.Generators.Removes.AtomsRemoveGenerator method)

plot() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.ReducedStructureFactorConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) plot_multiframe_weights() (fullrmc.Core.Constraint.ExperimentalConstraint method) position (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) print_available_examples() (in module fullrmc.Examples)

Q

qmax (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute)

qmin (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute)

R

raise_if_collected() (in module fullrmc.Core.Collection) randfloat() (in module fullrmc.Core.Constraint) RandomFloatGenerator (class in fullrmc.Core.Collection) RandomIntegerGenerator (class in fullrmc.Core.Collection) randomize (fullrmc.Core.MoveGenerator.MoveGeneratorCollector attribute) (fullrmc.Core.MoveGenerator.PathGenerator attribute) RandomSelector (class in fullrmc.Selectors.RandomSelectors) rang (fullrmc.Core.Collection.RandomFloatGenerator attribute) (fullrmc.Core.Collection.RandomIntegerGenerator attribute) rebin() (in module fullrmc.Core.Collection) recur (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) recurAsSet (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) RecursiveGroupSelector (class in fullrmc.Core.GroupSelector) ReducedStructureFactorConstraint (class in fullrmc.Constraints.StructureFactorConstraints) refine (fullrmc.Core.Group.Group attribute) (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) reject_amputation() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method)

reject_insertion() (fullrmc.Core.Constraint.Constraint method) reject_move() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) (fullrmc.Constraints.BondConstraints.BondConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) rejectProbability (fullrmc.Core.Constraint.RigidConstraint attribute) remove_listener() (fullrmc.Core.Collection.Broadcaster method) RemoveGenerator (class in fullrmc.Core.MoveGenerator) reset_constraint() (fullrmc.Core.Constraint.Constraint method) reset_if_collected_out_of_date() (in module fullrmc.Core.Collection) RigidConstraint (class in fullrmc.Core.Constraint) rmax (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) rmin (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) rotate() (in module fullrmc.Core.Collection) RotationAboutAxisGenerator (class in fullrmc.Generators.Rotations) RotationAboutSymmetryAxisGenerator (class in fullrmc.Generators.Rotations) RotationAboutSymmetryAxisPath (class in fullrmc.Generators.Rotations) RotationGenerator (class in fullrmc.Generators.Rotations)

S

scaleFactor (fullrmc.Core.Constraint.ExperimentalConstraint attribute) scheme (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator attribute) select_index() (fullrmc.Core.GroupSelector.GroupSelector method) (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) (fullrmc.Selectors.OrderedSelectors.DefinedOrderSelector method) (fullrmc.Selectors.RandomSelectors.RandomSelector method) (fullrmc.Selectors.RandomSelectors.SmartRandomSelector method) (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector method) selectionScheme (fullrmc.Core.MoveGenerator.MoveGeneratorCollector attribute) (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector attribute) selector (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) set_accepted() (fullrmc.Core.Constraint.Constraint method) set_active_atoms_data_after_move() (fullrmc.Core.Constraint.Constraint method) set_active_atoms_data_before_move() (fullrmc.Core.Constraint.Constraint method) set_adjust_move_generators() (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector method) set_adjust_scale_factor() (fullrmc.Core.Constraint.ExperimentalConstraint method) set_after_move_standard_error() (fullrmc.Core.Constraint.Constraint method) set_agitate() (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) set_allow_fitting_scale_factor() (fullrmc.Core.MoveGenerator.RemoveGenerator method) set_amplitude() (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) (fullrmc.Generators.Rotations.RotationGenerator method) (fullrmc.Generators.Translations.TranslationGenerator method) set_amputation_data() (fullrmc.Core.Constraint.Constraint method) set_amputation_standard_error() (fullrmc.Core.Constraint.Constraint method) set_angle() (fullrmc.Generators.Translations.TranslationTowardsAxisGenerator method) (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator method) (fullrmc.Generators.Translations.TranslationTowardsSymmetryAxisGenerator method) set_angles() (fullrmc.Constraints.AngleConstraints.BondsAngleConstraint method) (fullrmc.Constraints.DihedralAngleConstraints.DihedralAngleConstraint method) (fullrmc.Constraints.ImproperAngleConstraints.ImproperAngleConstraint method) set_atoms_list() (fullrmc.Core.MoveGenerator.RemoveGenerator method) set_atoms_weight() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_axis() (fullrmc.Generators.Rotations.RotationAboutAxisGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath method) (fullrmc.Generators.Translations.TranslationAlongAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath method) set_bias() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) set_bias_factor() (fullrmc.Selectors.RandomSelectors.SmartRandomSelector method) set_bias_height() (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) set_bonds() (fullrmc.Constraints.BondConstraints.BondConstraint method) set_center() (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator method) (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector method) set_collection() (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) set_combination() (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator method) set_computation_cost() (fullrmc.Core.Constraint.Constraint method) set_coordination_number_definition() (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint method) set_data() (fullrmc.Core.Constraint.Constraint method) set_data_weights() (fullrmc.Core.Constraint.ExperimentalConstraint method) set_default_distance() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) set_direction() (fullrmc.Generators.Translations.TranslationAlongAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator method) (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator method) set_dr() (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_engine() (fullrmc.Core.GroupSelector.GroupSelector method) (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) set_expand() (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector method) set_experimental_data() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.ExperimentalConstraint method) set_explore() (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) set_flexible() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) set_flip() (fullrmc.Generators.Rotations.OrientationGenerator method) set_generators_parameters() (fullrmc.Selectors.OrderedSelectors.DirectionalOrderSelector method) set_group() (fullrmc.Core.MoveGenerator.MoveGenerator method) (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator method) (fullrmc.Core.MoveGenerator.SwapGenerator method) (fullrmc.Generators.Swaps.SwapCentersGenerator method) set_group_axis() (fullrmc.Generators.Rotations.OrientationGenerator method) set_group_weight() (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector method) set_indexes() (fullrmc.Core.Group.EmptyGroup method) (fullrmc.Core.Group.Group method) set_limits() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_lower_limit() (fullrmc.Core.Collection.RandomFloatGenerator method) (fullrmc.Core.Collection.RandomIntegerGenerator method) set_maximum_collected() (fullrmc.Core.MoveGenerator.RemoveGenerator method) set_maximum_offset_angle() (fullrmc.Generators.Rotations.OrientationGenerator method) set_move_generator() (fullrmc.Core.Group.EmptyGroup method) (fullrmc.Core.Group.Group method) set_name() (fullrmc.Core.Group.Group method)

set_order() (fullrmc.Selectors.OrderedSelectors.DefinedOrderSelector method) set_orientation_axis() (fullrmc.Generators.Rotations.OrientationGenerator method) set_override() (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) set_pairs_distance() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) set_path() (fullrmc.Core.MoveGenerator.PathGenerator method) set_randomize() (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) (fullrmc.Core.MoveGenerator.PathGenerator method) set_recur() (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) set_refine() (fullrmc.Core.Group.Group method) (fullrmc.Core.GroupSelector.RecursiveGroupSelector method) set_reject_probability() (fullrmc.Core.Constraint.RigidConstraint method) set_rmax() (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_rmin() (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_scale_factor() (fullrmc.Core.Constraint.ExperimentalConstraint method) set_selection_scheme() (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) set_shape_function_parameters() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) set_shrink() (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) set_shuffle() (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator method) set_standard_error() (fullrmc.Core.Constraint.Constraint method) set_state() (fullrmc.Core.Constraint.Constraint method) set_swap_length() (fullrmc.Core.MoveGenerator.SwapGenerator method) (fullrmc.Generators.Swaps.SwapCentersGenerator method) (fullrmc.Generators.Swaps.SwapPositionsGenerator method) set_swap_list() (fullrmc.Core.MoveGenerator.SwapGenerator method) set_symmetric() (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) set_tried() (fullrmc.Core.Constraint.Constraint method) set_type_definition() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) set_unbias() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) set_unbias_factor() (fullrmc.Selectors.RandomSelectors.SmartRandomSelector method) set_unbias_height() (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) set_unbias_threshold() (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) set_upper_limit() (fullrmc.Core.Collection.RandomFloatGenerator method) (fullrmc.Core.Collection.RandomIntegerGenerator method) set_used() (fullrmc.Core.Constraint.Constraint method) set_variance_squared() (fullrmc.Core.Constraint.Constraint method) set_weighting() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) set_weights() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) (fullrmc.Core.MoveGenerator.MoveGeneratorCollector method) (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector method) set_window_function() (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) shapeArray (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) ShapeFunction (class in fullrmc.Constraints.Collection) shapeUpdateFreq (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) shellCenters (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) shellsIndexes (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) shellVolumes (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) should_step_get_accepted() (fullrmc.Core.Constraint.RigidConstraint method) should_step_get_rejected() (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint method) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint method) (fullrmc.Core.Constraint.RigidConstraint method) shrink (fullrmc.Generators.Agitations.AngleAgitationGenerator attribute) (fullrmc.Generators.Agitations.DistanceAgitationGenerator attribute) shuffle (fullrmc.Core.MoveGenerator.MoveGeneratorCombinator attribute) single_atom_coord_number_coords() (in module fullrmc.Core.atomic_coordination) single_atom_coord_number_totdists() (in module fullrmc.Core.atomic_coordination) single_atom_multi_shells_coords() (in module fullrmc.Core.atomic_coordination) single_atom_multi_shells_totdists() (in module fullrmc.Core.atomic_coordination) single_atom_single_shell_coords() (in module fullrmc.Core.atomic_coordination) single_atom_single_shell_subdists() (in module fullrmc.Core.atomic_coordination) single_atom_single_shell_totdists() (in module fullrmc.Core.atomic_coordination) single_atomic_distances_dists() (in module fullrmc.Core.atomic_distances) single_pairs_histograms() (in module fullrmc.Core.pairs_histograms) SingularConstraint (class in fullrmc.Core.Constraint) SmartRandomSelector (class in fullrmc.Selectors.RandomSelectors) smooth() (in module fullrmc.Core.Collection) sq_to_Gr() (in module fullrmc.Core.reciprocal_space) standardError (fullrmc.Core.Constraint.Constraint attribute) state (fullrmc.Core.Constraint.Constraint attribute) step (fullrmc.Core.MoveGenerator.PathGenerator attribute) step_function() (in module fullrmc.Core.Collection) StructureFactorConstraint (class in fullrmc.Constraints.StructureFactorConstraints) superpose_array() (in module fullrmc.Core.Collection) swapAtomsIndexes (fullrmc.Core.MoveGenerator.SwapGenerator attribute) SwapCentersGenerator (class in fullrmc.Generators.Swaps) SwapGenerator (class in fullrmc.Core.MoveGenerator) swapLength (fullrmc.Core.MoveGenerator.SwapGenerator attribute) (fullrmc.Generators.Swaps.SwapCentersGenerator attribute) swapList (fullrmc.Core.MoveGenerator.SwapGenerator attribute) SwapPositionsGenerator (class in fullrmc.Generators.Swaps) symmetric (fullrmc.Generators.Agitations.AngleAgitationGenerator attribute) (fullrmc.Generators.Agitations.DistanceAgitationGenerator attribute)

T

transform_coordinates() (fullrmc.Core.MoveGenerator.MoveGenerator method) (fullrmc.Core.MoveGenerator.RemoveGenerator method) (fullrmc.Generators.Agitations.AngleAgitationGenerator method) (fullrmc.Generators.Agitations.DistanceAgitationGenerator method) (fullrmc.Generators.Rotations.OrientationGenerator method) (fullrmc.Generators.Rotations.RotationAboutAxisGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisGenerator method) (fullrmc.Generators.Rotations.RotationAboutSymmetryAxisPath method) (fullrmc.Generators.Rotations.RotationGenerator method) (fullrmc.Generators.Swaps.SwapCentersGenerator method) (fullrmc.Generators.Swaps.SwapPositionsGenerator method) (fullrmc.Generators.Translations.TranslationAlongAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisGenerator method) (fullrmc.Generators.Translations.TranslationAlongSymmetryAxisPath method) (fullrmc.Generators.Translations.TranslationGenerator method) (fullrmc.Generators.Translations.TranslationTowardsAxisGenerator method) (fullrmc.Generators.Translations.TranslationTowardsCenterGenerator method) (fullrmc.Generators.Translations.TranslationTowardsSymmetryAxisGenerator method) (in module fullrmc.Core.boundary_conditions_collection)

TranslationAlongAxisGenerator (class in fullrmc.Generators.Translations) TranslationAlongSymmetryAxisGenerator (class in fullrmc.Generators.Translations) TranslationAlongSymmetryAxisPath (class in fullrmc.Generators.Translations) TranslationGenerator (class in fullrmc.Generators.Translations) TranslationTowardsAxisGenerator (class in fullrmc.Generators.Translations) TranslationTowardsCenterGenerator (class in fullrmc.Generators.Translations) TranslationTowardsSymmetryAxisGenerator (class in fullrmc.Generators.Translations) tried (fullrmc.Core.Constraint.Constraint attribute) typeDefinition (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) typePairs (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) types (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) typesIndex (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute)

U

unbias (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) unbias_scheme_at_position() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) unbias_scheme_by_index() (fullrmc.Core.Collection.BiasedRandomFloatGenerator method) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator method) unbiasBins (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) unbiasFactor (fullrmc.Selectors.RandomSelectors.SmartRandomSelector attribute) unbiasFWHM (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) unbiasFWHMBins (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) unbiasGuassian (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) unbiasRange (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute)

update_standard_error() (fullrmc.Constraints.PairCorrelationConstraints.PairCorrelationConstraint method) (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint method) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint method) (fullrmc.Core.Constraint.Constraint method) upperLimit (fullrmc.Core.Collection.RandomFloatGenerator attribute) (fullrmc.Core.Collection.RandomIntegerGenerator attribute) upperLimitArray (fullrmc.Constraints.DistanceConstraints.InterMolecularDistanceConstraint attribute) (fullrmc.Constraints.DistanceConstraints.IntraMolecularDistanceConstraint attribute) upperShells (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) used (fullrmc.Core.Constraint.Constraint attribute) usedFrame (fullrmc.Core.Constraint.Constraint attribute)

V

varianceSquared (fullrmc.Core.Constraint.Constraint attribute)

W

WeightedRandomSelector (class in fullrmc.Selectors.RandomSelectors) weighting (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) weightingScheme (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute) weights (fullrmc.Constraints.AtomicCoordinationConstraints.AtomicCoordinationNumberConstraint attribute) (fullrmc.Core.Collection.BiasedRandomFloatGenerator attribute) (fullrmc.Core.Collection.BiasedRandomIntegerGenerator attribute) (fullrmc.Selectors.RandomSelectors.WeightedRandomSelector attribute)

willExplore (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) willRecur (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) willRefine (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) willSelect (fullrmc.Core.GroupSelector.GroupSelector attribute) (fullrmc.Core.GroupSelector.RecursiveGroupSelector attribute) windowFunction (fullrmc.Constraints.PairDistributionConstraints.PairDistributionConstraint attribute) (fullrmc.Constraints.StructureFactorConstraints.StructureFactorConstraint attribute)