Changeset 808 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Dec 5, 2012 10:06:52 AM (9 years ago)
Author:
vondreele
Message:

Add Babinet modification to form factors - works OK
Use atom Ids for restraints
add 'all' in atom constraint editing routines
New add routines for bond restraints (angle add not done yet)
FindAtomIndexByIDs, FillAtomLookUp?, GetAtomsByID, & GetAtomItemsById? all now in GSASIImath.py
removed from GSASIIphsGUI.py
change phase tick mark colors
get GSASIIstruct.py to recognize protein atoms & do a protein calc.

File:
1 edited

Legend:

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  • trunk/GSASIIpwd.py

    r803 r808  
    522522            iD += 1       
    523523        except KeyError:
     524            break
     525        except ValueError:
     526            print '**** WARNING - backround peak '+str(iD)+' sigma is negative; fix & try again ****'
    524527            break       
    525528    return yb
     
    616619        except KeyError:
    617620            break
     621        except ValueError:
     622            print '**** WARNING - backround peak '+str(iD)+' sigma is negative; fix & try again ****'
     623            break       
    618624    return dydb,dyddb,dydpk
    619625
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