source: tests/regression/Parser/Tremolo-Potentials/post/test.data@ b6af88

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Last change on this file since b6af88 was 67ab71, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: default's resSeq in TremoloParser written inconsistently.

  • TremoloParser::saveLine() would add +1 to moleculeId but not else. Hence, if we load a .xyz file and store as .data, the resSeq is 1. If some default value has been set before, it would be 0. Also, it would get parsed as 1 and wrongly stored as 0 (see e.g. Parser/Tremolo's pre and post test.data).
  • TESTFIX: new Parser/Tremolo/post/test_xyz.data to check correct default value used in testsuite-parser-tremolo-save.
  • TESTFIX: Modified Parser/Tremolo/post/test.data as parsed value is 1.
  • TESTFIX: Modified Parser/Tremolo-Potentials/post/test.data as default value is 0 (pre is .xyz file).
  • Property mode set to 100644
File size: 281 bytes
Line 
1# ATOMDATA Charge F GroupMeasureTypeNo GrpTypeNo Id chainID charge extType imprData name neighbors occupancy resName resSeq segID stress tempFactor torsion type u x
20 0 0 0 0 0 1 0 0 - - - 0 - 0 0 0 0 - Ar 0 0 0 4.72977 8 8
30 0 0 0 0 0 2 0 0 - - - 0 - 0 0 0 0 - Ar 0 0 0 7.3 8 8
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