rdkit :: Chem :: Draw :: MolDrawing :: MolDrawing :: Class MolDrawing

Class MolDrawing

object --+
         |
        MolDrawing

Instance Methods

[hide private]

__init__(self, canvas=None, drawingOptions=None)
x.__init__(...) initializes x; see help(type(x)) for signature

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transformPoint(self, pos)

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_getBondOffset(self, p1, p2)

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_getOffsetBondPts(self, p1, p2, offsetX, offsetY, lenFrac=None)

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_offsetDblBond(self, p1, p2, bond, a1, a2, conf, dir=1, lenFrac=None)

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_getBondAttachmentCoordinates(self, p1, p2, labelSize)

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_drawWedgedBond(self, bond, pos, nbrPos, width=None, color=None, dash=None)

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_drawBond(self, bond, atom, nbr, pos, nbrPos, conf, width=None, color=None, color2=None, labelSize1=None, labelSize2=None)

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scaleAndCenter(self, mol, conf, coordCenter=False, canvasSize=None, ignoreHs=False)

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_drawLabel(self, label, pos, baseOffset, font, color=None, **kwargs)

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AddMol(self, mol, centerIt=True, molTrans=None, drawingTrans=None, highlightAtoms=[], confId=-1, flagCloseContactsDist=2, highlightMap=None, ignoreHs=False, highlightBonds=[], **kwargs)
Set the molecule to be drawn.

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

Class Variables

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atomPs = None
hash(x)

canvas = None
hash(x)

canvasSize = None
hash(x)

Properties

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Inherited from object: __class__

Method Details

[hide private]

init(self, canvas=None, drawingOptions=None)
(Constructor)

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x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__: (inherited documentation)

AddMol(self, mol, centerIt=True, molTrans=None, drawingTrans=None, highlightAtoms=[], confId=-1, flagCloseContactsDist=2, highlightMap=None, ignoreHs=False, highlightBonds=[], **kwargs)

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Set the molecule to be drawn.

Parameters:
  hightlightAtoms -- list of atoms to highlight (default [])
  highlightMap -- dictionary of (atom, color) pairs (default None)

Notes:
  - specifying centerIt will cause molTrans and drawingTrans to be ignored

Class MolDrawing

__init__(self, canvas=None, drawingOptions=None) (Constructor)

AddMol(self, mol, centerIt=True, molTrans=None, drawingTrans=None, highlightAtoms=[], confId=-1, flagCloseContactsDist=2, highlightMap=None, ignoreHs=False, highlightBonds=[], **kwargs)

init(self, canvas=None, drawingOptions=None)
(Constructor)