File List

Here is a list of all files with brief descriptions:

AlignMolecules.h [code]
AlignPoints.h [code]
AndQuery.h [code]
AngleBend.h [code]
Atom.h [code]	Defines the Atom class and associated typedefs
atomic_data.h [code]	No user-serviceable parts inside
AtomIterators.h [code]	Various tools for iterating over a molecule's Atoms
AtomPairs.h [code]
AtomProps.h [code]
AtomTyper.h [code]
BadFileException.h [code]
base64.h [code]	Functionality for base64 encoding/decoding
BFGSOpt.h [code]
BitOps.h [code]	Contains general bit-comparison and similarity operations
BitVect.h [code]
BitVects.h [code]	Pulls in all the BitVect classes
BitVectUtils.h [code]
Bond.h [code]
BondIterators.h [code]	Various tools for iterating over a molecule's Bonds
BondProps.h [code]
BondStretch.h [code]
BoundsMatrix.h [code]
BoundsMatrixBuilder.h [code]
Builder.h [code]
Canon.h [code]
Catalog.h [code]
CatalogEntry.h [code]
CatalogParams.h [code]
cEntropy.h [code]
ChemicalFeature.h [code]
ChemTransforms.h [code]
Chirality.h [code]	Not intended for client-code use
ChiralSet.h [code]
ChiralViolationContrib.h [code]
Clustering.h [code]
Conformer.h [code]
Contrib.h [code]
Contribs.h [code]	This convenience include pulls in all the other UFF include files
CorrMatGenerator.h [code]
cQuantize.h [code]
Crippen.h [code]	Use MolDescriptors.h in client code
DatastructsException.h [code]
DepictUtils.h [code]
Dict.h [code]	Defines the Dict class
DiscreteDistMat.h [code]
DiscreteValueVect.h [code]
DistanceConstraint.h [code]
DistGeomUtils.h [code]
DistPicker.h [code]
DistViolationContrib.h [code]
EmbeddedFrag.h [code]
Embedder.h [code]
EqualityQuery.h [code]
Exceptions.h [code]
ExplicitBitVect.h [code]
Feature.h [code]
FeatureParser.h [code]
FileParseException.h [code]
FileParsers.h [code]
FileParserUtils.h [code]
Fingerprints.h [code]
ForceField.h [code]
FourthDimContrib.h [code]
FragCatalogEntry.h [code]
FragCatalogUtils.h [code]
FragCatGenerator.h [code]
FragCatParams.h [code]
FragFPGenerator.h [code]
FreeChemicalFeature.h [code]
GasteigerCharges.h [code]
GasteigerParams.h [code]
GraphMol.h [code]	Pulls in RWMol and ROMol
GreaterEqualQuery.h [code]
GreaterQuery.h [code]
Grid3D.h [code]
GridUtils.h [code]
HierarchicalClusterPicker.h [code]
InfoBitRanker.h [code]
InfoGainFuncs.h [code]
Invariant.h [code]
LessEqualQuery.h [code]
LessQuery.h [code]
Matrix.h [code]
MaxMinPicker.h [code]
MetricFuncs.h [code]
MetricMatrixCalc.h [code]
MolCatalog.h [code]
MolCatalogEntry.h [code]
MolCatalogParams.h [code]
MolChemicalFeature.h [code]
MolChemicalFeatureDef.h [code]
MolChemicalFeatureFactory.h [code]
MolDescriptors.h [code]
MolFileStereochem.h [code]
MolOps.h [code]
MolPickler.h [code]
MolSupplier.h [code]
MolSurf.h [code]	Use MolDescriptors.h in client code
MolTransforms.h [code]
MolWriters.h [code]
MorganFingerprints.h [code]
Nonbonded.h [code]
OrQuery.h [code]
Params.h [code]
PeriodicTable.h [code]
point.h [code]
PowerEigenSolver.h [code]
primes.h [code]
PySequenceHolder.h [code]
Query.h [code]
QueryAtom.h [code]
QueryBond.h [code]
QueryObjects.h [code]	Pulls in all the query types
QueryOps.h [code]
RangeQuery.h [code]
RankAtoms.h [code]
RDDepictor.h [code]
RDKitBase.h [code]	Pulls in the core RDKit functionality
RDKitQueries.h [code]	Pulls in the RDKit Query functionality
RDLog.h [code]
Reaction.h [code]
ReactionParser.h [code]
ReactionPickler.h [code]
RingInfo.h [code]
Rings.h [code]	Utility functionality for working with ring systems
ROMol.h [code]	Defines the primary molecule class ROMol as well as associated typedefs
RWMol.h [code]	Defines the editable molecule class RWMol
SanitException.h [code]
SetQuery.h [code]
ShapeEncoder.h [code]
ShapeUtils.h [code]
SLNAttribs.h [code]
SLNParse.h [code]
SLNParseOps.h [code]
SmartsWrite.h [code]
SmilesParse.h [code]
SmilesParseOps.h [code]
SmilesWrite.h [code]
SparseBitVect.h [code]
SparseIntVect.h [code]
SquareMatrix.h [code]
StreamOps.h [code]
Subgraphs.h [code]	Functionality for finding subgraphs and paths in molecules
SubgraphUtils.h [code]
SubstructMatch.h [code]
SubstructUtils.h [code]
SymmMatrix.h [code]
TorsionAngle.h [code]
Transform.h [code]
Transform2D.h [code]
Transform3D.h [code]
TriangleSmooth.h [code]
types.h [code]
UniformGrid3D.h [code]
Utils.h [code]
utils.h [code]
Vector.h [code]
versions.h [code]
XOrQuery.h [code]