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openchemlib-utils
openchemlib-utils
getCharge
Function getCharge
getCharge
(
molecule
:
Molecule
)
:
number
Returns the charge of a molecule
Parameters
molecule
:
Molecule
an instance of OCL.Molecule
Returns
number
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openchemlib-utils
MoleculesDB
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DiaIDAndInfo
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FULL_HOSE_CODE
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combineSmiles
createPolymer
ensureHeterotopicChiralBonds
fragmentAcyclicSingleBonds
getAtomFeatures
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getCharge
getConnectivityMatrix
getDiastereotopicAtomIDs
getDiastereotopicAtomIDsAndH
getDiastereotopicAtomIDsFromMolfile
getGroupedDiastereotopicAtomIDs
getHoseCodes
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getHoseCodesForAtom
getHoseCodesForAtoms
getHoseCodesForPath
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groupDiastereotopicAtomIDs
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nbCHO
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nbLabileH
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toDiastereotopicSVG
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Returns the charge of a molecule