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1350fae6

Commit 1350fae6 authored 12 years ago by Ansgar Philippsen Committed by Bienchen 12 years ago

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fixes to dcd io and coord frame

fixed buggy dcd unit cell import
fixed missing dcd unit cell export
added unit cell for dcd io
some code cleanup for dcd export
some code cleanup for CoordFrame and Vec3List

parent fc4eba18

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modules/geom/src/composite3_op.cc 0 additions, 71 deletions

modules/geom/src/composite3_op.cc
modules/geom/src/vec3.cc 75 additions, 3 deletions

modules/geom/src/vec3.cc
modules/geom/src/vec3.hh 30 additions, 22 deletions

modules/geom/src/vec3.hh
modules/io/src/mol/dcd_io.cc 86 additions, 59 deletions

modules/io/src/mol/dcd_io.cc
modules/io/tests/CMakeLists.txt 1 addition, 0 deletions

modules/io/tests/CMakeLists.txt
modules/io/tests/test_io_dcd.cc 88 additions, 0 deletions

modules/io/tests/test_io_dcd.cc
modules/mol/base/pymod/export_coord_frame.cc 42 additions, 20 deletions

modules/mol/base/pymod/export_coord_frame.cc
modules/mol/base/src/coord_frame.cc 224 additions, 220 deletions

modules/mol/base/src/coord_frame.cc
modules/mol/base/src/coord_frame.hh 192 additions, 48 deletions

modules/mol/base/src/coord_frame.hh

with 738 additions and 443 deletions

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