Method atpair_bond_compnt belongs to
class Notation, the core class for managing
a CurlySMILES notation.
Module:
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csm_notation.py
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Method:
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atpair_bond_compnt(iCompnt,iAtom,jAtom)
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Argument:
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iCompnt (index of component);
type: integer;
values: 1,
2,..., or
nCompnt;
iAtom and jAtom
are indices of a selected pair of atoms of the component
with integer values from 1 to
nAtoms.
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Return:
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'-', '=',
'#', '$',
':', or '~',
depending on the bond symbol assigned to the bond between the atoms
with indices iAtom and
jAtom;
None, if there is no bond between these two atoms
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Example:
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For the CurlySMILES notation of (E)-2-butenedioic acid (fumaric acid)
___
sNotation = 'O=C(O)C=C{E}C(=O)O'
the call
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cBondSymb = oNotation.atpair_bond_compnt(1,4,5)
makes the assignment
___
cBondSymb = '='
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