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bb2b9454

Commit bb2b9454 authored 13 years ago by Bienchen

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MMCIfParser: solved missing label_seq_id problem (numbering water);...

MMCIfParser: solved missing label_seq_id problem (numbering water); recongnition of differen models (NMR) plus unit testing

parent 8fa62a8d

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modules/io/src/mol/mmcif_reader.cc 34 additions, 10 deletions

modules/io/src/mol/mmcif_reader.cc
modules/io/src/mol/mmcif_reader.hh 16 additions, 10 deletions

modules/io/src/mol/mmcif_reader.hh
modules/io/tests/test_mmcif_reader.cc 81 additions, 14 deletions

modules/io/tests/test_mmcif_reader.cc
modules/io/tests/testfiles/mmcif/atom_site.mmcif 42 additions, 27 deletions

modules/io/tests/testfiles/mmcif/atom_site.mmcif
modules/io/tests/testfiles/mmcif/model_multi_atom_site.mmcif 120 additions, 0 deletions

modules/io/tests/testfiles/mmcif/model_multi_atom_site.mmcif
modules/io/tests/testfiles/mmcif/model_multi_atom_site_inverted.mmcif 124 additions, 0 deletions

...ests/testfiles/mmcif/model_multi_atom_site_inverted.mmcif
modules/io/tests/testfiles/mmcif/model_truepos.mmcif 75 additions, 0 deletions

modules/io/tests/testfiles/mmcif/model_truepos.mmcif

with 492 additions and 61 deletions

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