Use moltype directly for obtaining residueAtomRanges
commitd879b6432d552604caf8c253c821ae05d26e8a69
authorPaul Bauer <paul.bauer.q@gmail.com>
Thu, 4 Jun 2020 16:35:39 +0000 (4 18:35 +0200)
committerPaul Bauer <paul.bauer.q@gmail.com>
Fri, 5 Jun 2020 09:33:16 +0000 (5 09:33 +0000)
tree45c59293563850bf419bf4974cce104e9e24e276
parent9fd18ab002378db38efeaadea406f2c0e37fdc5c
Use moltype directly for obtaining residueAtomRanges

Skipped indirection through molblock and mtop after seeing that the
client code this is intended for can just provide the current moltype.

Change-Id: I51e1bef8882d334849682b528e0e8f0c7f81ad17
src/gromacs/topology/mtop_util.cpp
src/gromacs/topology/mtop_util.h
src/gromacs/topology/tests/mtop.cpp