source: tests/regression/Parser/Tremolo/pre/bio.potentials@ fe02bf

Last change on this file since fe02bf was 05e2ed, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: TremoloParser did not load/save imprData or torsion correctly.

  • this error was introduced when incorporating local-global-maps and conversions where this was not correctly done for the improper and torsion string:
    • conversion from local to global on load was present but went over all atoms, not just newly parsed ones. adapt.. now gets atom vector as param.
    • save did no global-local conversion. For this we generalized adaptIdDependentDataString() to get a function pointer converting ids.
  • TEST: We added a new regression test on this matter where a .data file with impropers is loaded and stored.
  • Property mode set to 100644
File size: 1.7 MB

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