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Revisions №57241

branch: master 「№57241」
Commited by: Labonte
GitHub commit link: 「553781cd36b4f5a9」
Difference from previous tested commit:  code diff
Commit date: 2014-09-02 17:51:22

ResidueProperties: VariantTypes are now enums instead of strings NEWS: Similar to what I did with properties, **`VariantType`s are now `enum`s and the variant state of a given `ResidueType` is now stored in a vector of Booleans indexed by said `enum`s.** This is Part IIA of my refactoring of `ResidueType` properties in Rosetta. **Done:** - [x] Variant status stored in `ResidueProperties` as `vector1< bool >` and indexed by `VariantType`. - [x] Auto-code-generation script renamed and refactored to generate multiple files. - [x] String-look-ups removed from ~170 files. - [x] ~90 topology and patch files modified to reflect name-changes to `VariantType`s that would conflict with properties. - [x] Added new unit tests. - [x] Fixed any broken unit tests. - [x] Fixed any broken integration tests. - [x] Added way to handle on-the-fly `VariantType`s. (IMO, they should be avoided, but it is allowed here for backward compatibility.) - [x] Moved variant matching functions out of `ResidueType` and into `util.cc` and thoroughly refactored them. **Still To-Do:** - [ ] Refactor more central code that still relies on string-look-ups. (Much of the code involving switching from one variant to another involves making a list of all the `VariantType` strings in the before and after states and comparing them to select an appropriate `ResidueType`. I will fix this shortly.) Most of the "Still To-Do" is complete or nearly complete. I am trying to confirm that numeric changes in SWA and SWM integration tests are not something about which to worry. I thus decided to break this merge into two parts. If you are curious as to the progress, see pull request #56 on GitHub. ---------------------------------------- Unit test status: Pass Integration test status: 4 tests change inverse_rotamer_remodel, enzdes, Enzrevert_xml: output changes explaining custom VariantTypes carbohydrates: output changes to ResidueType::show()

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