def _highlightCtabFragmentSVG(data,
smarts,
size,
legend,
sanitize=True,
removeHs=True,
strictParsing=True,
kekulize=True,
wedgeBonds=True,
fitImage=True,
atomMapNumber=False,
computeCoords=False,
force=False):
mols = _parseMolData(data,
sanitize=sanitize,
removeHs=removeHs,
strictParsing=strictParsing)
matches = _getMatches(mols, smarts, force)
return _mols2svg(mols,
size,
legend,
kekulize=kekulize,
wedgeBonds=wedgeBonds,
fitImage=fitImage,
atomMapNumber=atomMapNumber,
computeCoords=computeCoords,
highlightAtomLists=matches)
def _highlightCtabFragmentSVG(data, smarts, size, legend, sanitize=True, removeHs=True, strictParsing=True,
kekulize=True, wedgeBonds=True, fitImage=True, atomMapNumber=False, computeCoords=False,
force=False):
mols = _parseMolData(data, sanitize=sanitize, removeHs=removeHs, strictParsing=strictParsing)
matches = _getMatches(mols, smarts, force)
return _mols2svg(mols, size, legend, kekulize=kekulize, wedgeBonds=wedgeBonds, fitImage=fitImage,
atomMapNumber=atomMapNumber, computeCoords=computeCoords, highlightAtomLists=matches)
def _highlightSmilesFragmentSVG(data,
smarts,
size,
legend,
computeCoords=False,
delimiter=' ',
smilesColumn=0,
nameColumn=1,
titleLine=True,
sanitize=True,
kekulize=True,
wedgeBonds=True,
fitImage=True,
atomMapNumber=False,
force=False):
mols = _parseSMILESData(data,
computeCoords=computeCoords,
delimiter=delimiter,
smilesColumn=smilesColumn,
nameColumn=nameColumn,
titleLine=titleLine,
sanitize=sanitize)
matches = _getMatches(mols, smarts, force)
return _mols2svg(mols,
size,
legend,
kekulize=kekulize,
wedgeBonds=wedgeBonds,
fitImage=fitImage,
atomMapNumber=atomMapNumber,
computeCoords=computeCoords,
highlightAtomLists=matches)
def _highlightSmilesFragment(data, smarts, size, legend, computeCoords=False, delimiter=' ', smilesColumn=0,
nameColumn=1, titleLine=True, sanitize=True, atomMapNumber=False, kekulize=True,
force=False):
mols = _parseSMILESData(data, computeCoords=computeCoords, delimiter=delimiter,
smilesColumn=smilesColumn, nameColumn=nameColumn, titleLine=titleLine, sanitize=sanitize)
matches = _getMatches(mols, smarts, force)
return _mols2imageString(mols, size, legend, 'PNG', atomMapNumber, computeCoords, matches, kekulize=kekulize)
def _highlightSmilesFragmentSVG(data, smarts, size, legend, computeCoords=False, delimiter=' ', smilesColumn=0,
nameColumn=1, titleLine=True, sanitize=True, kekulize=True, wedgeBonds=True,
fitImage=True, atomMapNumber=False, force=False):
mols = _parseSMILESData(data, computeCoords=computeCoords, delimiter=delimiter,
smilesColumn=smilesColumn, nameColumn=nameColumn, titleLine=titleLine, sanitize=sanitize)
matches = _getMatches(mols, smarts, force)
return _mols2svg(mols, size, legend, kekulize=kekulize, wedgeBonds=wedgeBonds, fitImage=fitImage,
atomMapNumber=atomMapNumber, computeCoords=computeCoords, highlightAtomLists=matches)
def _highlightCtabFragment(data,
smarts,
size,
legend,
sanitize=True,
removeHs=True,
strictParsing=True,
atomMapNumber=False,
computeCoords=False,
kekulize=True,
force=False):
mols = _parseMolData(data,
sanitize=sanitize,
removeHs=removeHs,
strictParsing=strictParsing)
matches = _getMatches(mols, smarts, force)
return _mols2imageString(mols,
size,
legend,
'PNG',
atomMapNumber,
computeCoords,
matches,
kekulize=kekulize)
def _highlightCtabFragment(data, smarts, size, legend, sanitize=True, removeHs=True, strictParsing=True,
atomMapNumber=False, computeCoords=False, kekulize=True, force=False):
mols = _parseMolData(data, sanitize=sanitize, removeHs=removeHs, strictParsing=strictParsing)
matches = _getMatches(mols, smarts, force)
return _mols2imageString(mols, size, legend, 'PNG', atomMapNumber, computeCoords, matches, kekulize=kekulize)