Chemical Data Processing Library C++ API - Version 1.1.1
- a -
angle :
CDPL::Chem::Atom2DCoordinatesCalculator::LGNode::NodeLayoutInfo
atom1ID :
CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange
atom2ID :
CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange
- b -
BLACK :
CDPL::Vis::Color
BLUE :
CDPL::Vis::Color
- c -
center :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
color :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
COORDS_DIM :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
CYAN :
CDPL::Vis::Color
- d -
DARK_BLUE :
CDPL::Vis::Color
DARK_CYAN :
CDPL::Vis::Color
DARK_GRAY :
CDPL::Vis::Color
DARK_GREEN :
CDPL::Vis::Color
DARK_MAGENTA :
CDPL::Vis::Color
DARK_RED :
CDPL::Vis::Color
DARK_YELLOW :
CDPL::Vis::Color
DEF_ATOM_PROPERTY_FLAGS :
CDPL::Chem::AutomorphismGroupSearch
,
CDPL::Chem::CanonicalNumberingCalculator
,
CDPL::Chem::DefaultMultiConfMoleculeInputProcessor
,
CDPL::Chem::HashCodeCalculator
,
CDPL::Chem::SymmetryClassCalculator
,
CDPL::Descr::CircularFingerprintGenerator
,
CDPL::Descr::PathFingerprintGenerator
DEF_BOND_PROPERTY_FLAGS :
CDPL::Chem::AutomorphismGroupSearch
,
CDPL::Chem::CanonicalNumberingCalculator
,
CDPL::Chem::DefaultMultiConfMoleculeInputProcessor
,
CDPL::Chem::HashCodeCalculator
,
CDPL::Chem::SymmetryClassCalculator
,
CDPL::Descr::CircularFingerprintGenerator
,
CDPL::Descr::PathFingerprintGenerator
DEF_CYCLE_STEP_COUNT_FACTOR :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
DEF_DAMPING_FACTOR :
CDPL::MolProp::PEOESigmaChargeCalculator
DEF_DIELECTRIC_CONSTANT :
CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
DEF_DISTANCE_CUTOFF :
CDPL::GRAIL::AtomDensityGridCalculator
,
CDPL::GRAIL::FeatureInteractionScoreGridCalculator
,
CDPL::Shape::GaussianShapeAlignment
,
CDPL::Shape::GaussianShapeFunction
DEF_DISTANCE_EXPONENT :
CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
DEF_FEATURE_GEOM :
CDPL::Pharm::AromaticFeatureGenerator
,
CDPL::Pharm::HydrophobicAtomFeatureGenerator
,
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_FEATURE_TOL :
CDPL::Pharm::AromaticFeatureGenerator
,
CDPL::Pharm::HydrophobicAtomFeatureGenerator
,
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_FEATURE_TYPE :
CDPL::Pharm::AromaticFeatureGenerator
,
CDPL::Pharm::HydrophobicAtomFeatureGenerator
,
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_FTR_GEOM_MATCH_WEIGHT :
CDPL::Pharm::PharmacophoreFitScore
DEF_FTR_MATCH_COUNT_WEIGHT :
CDPL::Pharm::PharmacophoreFitScore
DEF_FTR_POS_MATCH_WEIGHT :
CDPL::Pharm::PharmacophoreFitScore
DEF_GRID_OVERSIZE :
CDPL::Chem::SurfaceAtomExtractor
DEF_GRID_STEP_SIZE :
CDPL::Chem::SurfaceAtomExtractor
,
CDPL::GRAIL::GRAILDataSetGenerator
DEF_HYD_THRESHOLD :
CDPL::Pharm::HydrophobicAtomFeatureGenerator
DEF_HYD_THRESHOLD_CHAIN :
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_HYD_THRESHOLD_GROUP :
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_HYD_THRESHOLD_RING :
CDPL::Pharm::HydrophobicFeatureGenerator
DEF_LEARNING_RATE_DECREMENT :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
DEF_MAX_ACC_ANGLE :
CDPL::Pharm::HBondingInteractionConstraint
,
CDPL::Pharm::HBondingInteractionScore
,
CDPL::Pharm::XBondingInteractionConstraint
,
CDPL::Pharm::XBondingInteractionScore
DEF_MAX_ANGLE :
CDPL::Pharm::CationPiInteractionConstraint
,
CDPL::Pharm::CationPiInteractionScore
,
CDPL::Pharm::OrthogonalPiPiInteractionConstraint
,
CDPL::Pharm::OrthogonalPiPiInteractionScore
,
CDPL::Pharm::ParallelPiPiInteractionConstraint
,
CDPL::Pharm::ParallelPiPiInteractionScore
DEF_MAX_AR_ORIENTATION_DEVIATION :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MAX_AX_DISTANCE :
CDPL::Pharm::XBondingInteractionConstraint
,
CDPL::Pharm::XBondingInteractionScore
DEF_MAX_DISTANCE :
CDPL::Pharm::CationPiInteractionConstraint
,
CDPL::Pharm::CationPiInteractionScore
,
CDPL::Pharm::HydrophobicInteractionConstraint
,
CDPL::Pharm::HydrophobicInteractionScore
,
CDPL::Pharm::IonicInteractionConstraint
,
CDPL::Pharm::IonicInteractionScore
DEF_MAX_H_DISTANCE :
CDPL::Pharm::OrthogonalPiPiInteractionConstraint
,
CDPL::Pharm::OrthogonalPiPiInteractionScore
,
CDPL::Pharm::ParallelPiPiInteractionConstraint
,
CDPL::Pharm::ParallelPiPiInteractionScore
DEF_MAX_HB_LENGTH :
CDPL::Pharm::HBondingInteractionConstraint
,
CDPL::Pharm::HBondingInteractionScore
DEF_MAX_HBA_INTERACTION_DIR_ANGLE :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MAX_HBA_ORIENTATION_DEVIATION :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MAX_HBD_INTERACTION_DIR_DEVIATION :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MAX_NUM_SYMMETRY_MAPPINGS :
CDPL::ConfGen::RMSDConformerSelector
DEF_MAX_OPTIMIZATION_ITERATIONS :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::GaussianShapeAlignment
,
CDPL::Shape::GaussianShapeFunctionAlignment
DEF_MAX_PRODUCT_ORDER :
CDPL::Shape::GaussianShapeAlignment
,
CDPL::Shape::GaussianShapeFunction
DEF_MAX_RANDOM_TRANSLATION :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::PrincipalAxesAlignmentStartGenerator
DEF_MAX_V_DISTANCE :
CDPL::Pharm::OrthogonalPiPiInteractionConstraint
,
CDPL::Pharm::OrthogonalPiPiInteractionScore
,
CDPL::Pharm::ParallelPiPiInteractionConstraint
,
CDPL::Pharm::ParallelPiPiInteractionScore
DEF_MAX_XBA_INTERACTION_DIR_DEVIATION :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MAX_XBD_INTERACTION_DIR_DEVIATION :
CDPL::Pharm::FeatureGeometryMatchFunctor
DEF_MIN_AHD_ANGLE :
CDPL::Pharm::HBondingInteractionConstraint
,
CDPL::Pharm::HBondingInteractionScore
DEF_MIN_AX_DISTANCE :
CDPL::Pharm::XBondingInteractionConstraint
,
CDPL::Pharm::XBondingInteractionScore
DEF_MIN_AXB_ANGLE :
CDPL::Pharm::XBondingInteractionConstraint
,
CDPL::Pharm::XBondingInteractionScore
DEF_MIN_DISTANCE :
CDPL::Pharm::CationPiInteractionConstraint
,
CDPL::Pharm::CationPiInteractionScore
,
CDPL::Pharm::HydrophobicInteractionConstraint
,
CDPL::Pharm::HydrophobicInteractionScore
,
CDPL::Pharm::IonicInteractionConstraint
,
CDPL::Pharm::IonicInteractionScore
DEF_MIN_H_DISTANCE :
CDPL::Pharm::OrthogonalPiPiInteractionConstraint
,
CDPL::Pharm::OrthogonalPiPiInteractionScore
DEF_MIN_HB_LENGTH :
CDPL::Pharm::HBondingInteractionConstraint
,
CDPL::Pharm::HBondingInteractionScore
DEF_MIN_SURFACE_ACC :
CDPL::Chem::SurfaceAtomExtractor
DEF_MIN_V_DISTANCE :
CDPL::Pharm::ParallelPiPiInteractionConstraint
,
CDPL::Pharm::ParallelPiPiInteractionScore
DEF_MIN_VDW_SURFACE_DISTANCE :
CDPL::GRAIL::BuriednessScore
DEF_NUM_CYCLES :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
DEF_NUM_ITERATIONS :
CDPL::MolProp::PEOESigmaChargeCalculator
DEF_NUM_RANDOM_STARTS :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::PrincipalAxesAlignmentStartGenerator
DEF_NUM_TEST_POINTS :
CDPL::Chem::SurfaceAtomExtractor
DEF_NUM_TEST_RAYS :
CDPL::GRAIL::BuriednessScore
DEF_OPTIMIZATION_STOP_GRADIENT :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::GaussianShapeAlignment
,
CDPL::Shape::GaussianShapeFunctionAlignment
DEF_PROBE_RADIUS :
CDPL::Chem::SurfaceAtomExtractor
,
CDPL::GRAIL::BuriednessScore
,
CDPL::GRAIL::GeneralizedBellAtomDensity
DEF_RADIUS_SCALING_FACTOR :
CDPL::GRAIL::GeneralizedBellAtomDensity
,
CDPL::Shape::FastGaussianShapeOverlapFunction
DEF_RESULT_SELECTION_MODE :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::GaussianShapeAlignment
DEF_START_LEARNING_RATE :
CDPL::Util::DGCoordinatesGeneratorBase< Dim, T, Derived >
DEF_SYMMETRY_THRESHOLD :
CDPL::Shape::FastGaussianShapeAlignment
,
CDPL::Shape::PrincipalAxesAlignmentStartGenerator
DEFAULT :
CDPL::ConfGen::ConformerGeneratorSettings
,
CDPL::ConfGen::DGConstraintGeneratorSettings
,
CDPL::ConfGen::DGStructureGeneratorSettings
,
CDPL::ConfGen::FragmentAssemblerSettings
,
CDPL::ConfGen::FragmentConformerGeneratorSettings
,
CDPL::ConfGen::StructureGeneratorSettings
,
CDPL::ConfGen::TorsionDriverSettings
,
CDPL::Shape::ScreeningSettings
defValue :
CDPL::Util::MapDefaultValue< ValueType, Allow >
,
CDPL::Util::MultiMapDefaultValue< ValueType, Allow >
delta :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
DIELECTRIC_CONSTANT_WATER :
CDPL::ForceField::MMFF94ElectrostaticInteractionParameterizer
- e -
edge :
CDPL::Chem::Atom2DCoordinatesCalculator::LGNode::NodeLayoutInfo
- f -
FAST :
CDPL::ConfGen::FragmentConformerGeneratorSettings
FEATURE_VECTOR_SIZE :
CDPL::MolProp::LogSCalculator
,
CDPL::MolProp::XLogPCalculator
- g -
GRAY :
CDPL::Vis::Color
GREEN :
CDPL::Vis::Color
- l -
LARGE_SET_DENSE :
CDPL::ConfGen::ConformerGeneratorSettings
LARGE_SET_DIVERSE :
CDPL::ConfGen::ConformerGeneratorSettings
LIGAND_DESCRIPTOR_SIZE :
CDPL::GRAIL::GRAILDescriptorCalculator
,
CDPL::GRAIL::GRAILXDescriptorCalculator
LIGHT_GRAY :
CDPL::Vis::Color
- m -
MAGENTA :
CDPL::Vis::Color
MaxSize :
CDPL::Math::BoundedVector< T, N >
MaxSize1 :
CDPL::Math::BoundedMatrix< T, M, N >
MaxSize2 :
CDPL::Math::BoundedMatrix< T, M, N >
MEDIUM_SET_DENSE :
CDPL::ConfGen::ConformerGeneratorSettings
MEDIUM_SET_DIVERSE :
CDPL::ConfGen::ConformerGeneratorSettings
- n -
NO_CUTOFF :
CDPL::Shape::ScreeningSettings
NONE :
CDPL::Base::LookupKey
NUM_TYPES :
CDPL::ForceField::MMFF94PrimaryToParameterAtomTypeMap::Entry
- o -
orderChange :
CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange
- r -
radius :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
RED :
CDPL::Vis::Color
- s -
Size :
CDPL::Math::CVector< T, N >
Size1 :
CDPL::Math::CMatrix< T, M, N >
Size2 :
CDPL::Math::CMatrix< T, M, N >
SMALL_SET_DENSE :
CDPL::ConfGen::ConformerGeneratorSettings
SMALL_SET_DIVERSE :
CDPL::ConfGen::ConformerGeneratorSettings
- t -
THOROUGH :
CDPL::ConfGen::FragmentConformerGeneratorSettings
TOTAL_DESCRIPTOR_SIZE :
CDPL::GRAIL::GRAILDescriptorCalculator
,
CDPL::GRAIL::GRAILXDescriptorCalculator
TRANSPARENT :
CDPL::Vis::Color
- v -
volume :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
- w -
weightFactor :
CDPL::Shape::FastGaussianShapeAlignment::ShapeData::Element
WHITE :
CDPL::Vis::Color
- y -
YELLOW :
CDPL::Vis::Color
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