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chempy::cex::CEXsmilesParser Class Reference

List of all members.


Detailed Description

A simple CEX smiles parser adapted from Dave Weininger's C version in the
CEX toolkit

Definition at line 86 of file cex.py.


Public Member Functions

def __init__
def MakeAtom
def MakeBond
def needquote
def num2sym
def parse
def SetAtomicMass
def SetFormalCharge
def SetHcount
def sym2num

Public Attributes

 atomN
 fromat
 molname
 ringat
 ringbo
 smiles

Static Public Attributes

int MX_NESTING = 4096
int MX_RINGS = 1000
dictionary ptab
dictionary stab

The documentation for this class was generated from the following file:

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