[cclib-devel] [ cclib-Feature Requests-1810294 ] better error handling in CDA module

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Feature Requests item #1810294, was opened at 2007-10-09 10:43
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Category: None
Group: None
Status: Open
Priority: 5
Private: No
Submitted By: Adam Tenderholt (atenderholt)
Assigned to: Nobody/Anonymous (nobody)
Summary: better error handling in CDA module

Initial Comment:
Check to see if atomnos from fragments are the same as in the entire molecule before proceeding. If not, throw an appropriate error. 

Next, check for atomcoords (I think it does this already) and finally the number of basis functions. Exit sanely.

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You can respond by visiting: 
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