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Methods
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Mol2io
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Mol2io ( self, h )
Mol2io(Mol2ioHelper* h) -> Mol2io
Mol2io constructor documentation.
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__hash__
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__hash__ ( self )
arguments/return value unknown
hash instance
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addAtomToSubst
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addAtomToSubst (
self,
substId,
a,
)
addAtomToSubst(int substId, Atom* a)
addAtomToSubst documentation.
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addAtomWithId
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addAtomWithId (
self,
id,
a,
)
addAtomWithId(int id, Atom* a)
addAtomWithId documentation.
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atomWithId
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atomWithId ( self, id )
atomWithId(int id) -> Atom*
atomWithId documentation.
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atomsInSubst
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atomsInSubst ( self, substId )
atomsInSubst(int substId) -> std::vector<Atom*>
atomsInSubst documentation.
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clearAtomIdMap
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clearAtomIdMap ( self )
clearAtomIdMap()
clearAtomIdMap documentation.
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clearSAMap
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clearSAMap ( self )
clearSAMap()
clearSAMap documentation.
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error
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error ( self )
error() -> std::string
error documentation.
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ok
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ok ( self )
ok() -> bool
ok documentation.
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readMol2file
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readMol2file ( self, filename )
readMol2file(char* filename) -> std::vector<Molecule*>
readMol2file documentation.
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