[gmx-developers] index group number scanf

Roland Schulz roland at utk.edu
Wed Oct 7 23:58:20 CEST 2009


the scanf to read the index group number in qgroup is a problem, if one
wants to use it as library.

Do you agree to change the following?

in statuitl:
- add  variable pca_ndx_selection
- add flag -nsel which write to pca_ndx_selection  if PCA_CAN_NDX_SEL is set

in all tools which read one/several ndx file(s)
- add flag PCA_CAN_NDX_SEL

in index.c:
- test if pca_ndx_selection!=0 and if so use it instead of scanf

It is of course not thread safe because it using one shared variable. But
the current scanf is also not thread safe and I don't know how to easily
change it to make it thread safe.


ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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