B
    3RcD                 @   sR  d dl Z d dlZd dlmZ d dlmZ edkrNee jdkrZe	d e	d e 
d xe jD ]Ze Zed	eZed  Zeedkrd
Zned Zed\ZZeeZedkre jde  qbeeZedkre jde  qbejeddZejeddZedkrdZedkr*dZeeed
\ZZe	deef  qbW dS )    N)Chem)cansmirk__main__   z`Program that canonicalises an input SMIRKS so its in same format as MMP identification program.
z&USAGE: ./cansmirks.py <file_of_smirks
   z\s|, z>>zCan't generate mol for: %s
T)ZisomericSmilesz[*H:1]z[*:1][H]z%s %s)sysreZrdkitr   Zindexingr   __name__lenargvprintexitstdinlinerstripsplitZline_fieldsZsmirksidZlhsZrhsZMolFromSmileslstderrwriterZMolToSmilesZclhsZcrhsZcsmirkcontext r   r   $share/RDKit/Contrib/mmpa/cansmirk.py<module>!   sB   




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