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improve calculation of ResidueImpl::GetIndex
Previously we were returning the wrong index for residues in chains that contained a certain residue number more than once. We were always returning the index of the first residue. Among other things, this fixes BZDNG-229.
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- modules/mol/base/src/impl/chain_impl.cc 63 additions, 30 deletionsmodules/mol/base/src/impl/chain_impl.cc
- modules/mol/base/src/impl/chain_impl.hh 7 additions, 5 deletionsmodules/mol/base/src/impl/chain_impl.hh
- modules/mol/base/src/impl/residue_impl.cc 2 additions, 1 deletionmodules/mol/base/src/impl/residue_impl.cc
- modules/mol/base/tests/test_residue.cc 16 additions, 0 deletionsmodules/mol/base/tests/test_residue.cc
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