Package schrodinger :: Package application :: Package canvas :: Module base :: Class ChmMolPtr
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Class ChmMolPtr

         object --+    
                  |    
infra.canvas.ChmMol --+
                      |
                     ChmMolPtr

Instance Methods [hide private]
 
__init__(self, this)
__init__(ChmMol self) -> ChmMol __init__(ChmMol self, istream inputstream) -> ChmMol

Inherited from infra.canvas.ChmMol: __repr__, __str__, __swig_destroy__, addAromaticBond, addAtom, addBond, addConformation, addDoubleBond, addMolecule, addMoleculeRaw, addSingleBond, addTripleBond, addZeroOrderBond, areBonded, atomsAtOrigin, checkCoords, checkStereo, chiralCenters, cisTransBonds, clear, clearAllUserData, clearAtomBondProperties, clearAtomProperty, clearBondFlags, clearBondProperty, clearConfs, clearCoords, clearProperties, clone, cloneProperties, deleteProperty, destroyAtom, destroyBond, flipBondFlags, genCoords, getAbsoluteChiralityFlag, getAtom, getAtomCount, getAtoms, getAtomsByMask, getAtomsForBonds, getBond, getBondCount, getBondFlags, getBondMaskForAtomMask, getBonds, getBondsByMask, getBondsForAtomMask, getBondsForAtoms, getComponentCount, getConformation, getConformationCount, getConformations, getConnectionTable, getConnectionTableWithBondOrders, getCoordinates, getDistanceMatrix, getDistanceMatrix3D, getDistanceMatrix3D2, getFirstImplicitHydrogenIndex, getHash, getHash64, getHeavyAtomCount, getHeavyAtoms, getHeavyBondCount, getHeavyBonds, getHydrogens, getMW, getName, getNetCharge, getProperties, getPropertiesBegin, getPropertiesEnd, getPropertiesFor, getPropertiesForAtom, getPropertiesForBond, getProperty, getPropertyCount, getPropertyForAtom, getPropertyForBond, getRingCount, getRotatableBonds, getSMARTS, getTautomerCode, getTautomerCode64, getTerminalAtoms, getUnrotatableBonds, getUserData, getZeroOrderBonds, has2DCoords, has3DCoords, hasAllHydrogens, hasBondDirectionHint, hasCoords, hasDistinctCoords, hasImplicitHydrogens, hasIsotope, hasProperty, isEmpty, isKekulized, kekulize, makeWildcard, mapToSMILES, markHydrogens, markProchiral, needsBondDirectionHint, neutralize, packIndices, perceiveHybridization, perceiveHydrogens, perceiveRings, placeHydrogens, randomizeOrientation, reflectX0, reflectY0, removeAChiralHydrogens, removeAtom, removeAtomByIndex, removeAtoms, removeConformation, removeFormalCharges, removeHydrogens, removeHydrogensAtOrigin, removeImplicitHydrogens, removeNonPolarHydrogens, setAbsoluteChiralityFlag, setAtomProperty, setBondProperty, setCoordinates, setMaeProperty, setName, setProperty, setPropertyForAtom, setPropertyforBond, setUserData, store, subset, subsetByBonds, toCanonicalSMILES, toChmQuery, toGenericSMARTS, toMAE, toMDL, toSMILES, toString, toUniqueSMILES, topoCentroid, topoCentroidByCount, translateAlleneStereo, translateCisTransStereo, translateTetrahedralStereo, undefinedChiralCenters, unkekulize, unmarkProchiral, validateCisTrans, zeroCoords

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __setattr__, __sizeof__, __subclasshook__

Static Methods [hide private]

Inherited from infra.canvas.ChmMol: fromMAE, fromMDL, fromSMILES

Properties [hide private]

Inherited from infra.canvas.ChmMol: thisown

Inherited from object: __class__

Method Details [hide private]

__init__(self, this)
(Constructor)

 

__init__(ChmMol self) -> ChmMol __init__(ChmMol self, istream inputstream) -> ChmMol

Overrides: object.__init__
(inherited documentation)