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383facd6

Unverified Commit 383facd6 authored 1 year ago by Xavier Robin

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fix: support multiple charges in M CHG line

parent 95920202

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Changes 4

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modules/io/src/mol/sdf_reader.cc 20 additions, 14 deletions

modules/io/src/mol/sdf_reader.cc
modules/io/src/mol/sdf_reader.hh 1 addition, 1 deletion

modules/io/src/mol/sdf_reader.hh
modules/io/tests/test_io_sdf.py 4 additions, 2 deletions

modules/io/tests/test_io_sdf.py
modules/io/tests/testfiles/sdf/m_chg.sdf 2 additions, 2 deletions

modules/io/tests/testfiles/sdf/m_chg.sdf

with 27 additions and 19 deletions

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