Code

Fix issue #148#149

Code

Merged

lohedges merged 5 commits intodevelOpenBioSim/biosimspace:develfrom fix_148OpenBioSim/biosimspace:fix_148Copy head branch name to clipboardSep 19, 2023

+175-39

Commits

Commits on Aug 2, 2023

• Update water topology for Gro87 format. [ref #148]

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  committed
  3a18893

• Add parameter to allow user to optionally match water naming convention.

  Show description for 92a815c
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  committed
  92a815c

• Optimise by avoiding duplication of water topology check.

  Show description for a702a6b
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  committed
  a702a6b

• Make sure property map is passed using keyword formatting.

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  f470d23

• Further optimisations by avoiding duplicate water topology checks.

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  67531fc