added tests and functions for extraction of fractional occupancy. methods...
added tests and functions for extraction of fractional occupancy. methods updated so expected results are produced.
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- solventmapcreator/io/solventxmlreader.py 20 additions, 8 deletionssolventmapcreator/io/solventxmlreader.py
- solventmapcreator/test/iotest/solventxmlreadertest.py 114 additions, 0 deletionssolventmapcreator/test/iotest/solventxmlreadertest.py
- solventmapcreator/test/solvationmapcreatortests.py 3 additions, 2 deletionssolventmapcreator/test/solvationmapcreatortests.py
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