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MDAnalysis / GridDataFormats
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DEFAULT BRANCH: master
Repo Added 11 Sep 2015 08:13AM UTC
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  • issue-35-dx-double
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orbeckst
Updated parsing for DX files (#52)

* Fixed openDX parser so it can read all floats;
   previously, the parser would choke on lines line

      0.0   -1e-6    0.0

   by splitting it into tokens '0.0', '-1', 'e-6', '0.0'.
* Modified the float regex to fix this but this meant that ints also got read as floats
* Updated the parts of the code that expected ints to accomodate this
* Accelerated reading of DX files (fix #2)
   Skipping the parser for reading in data
* Modified `test.dx` to contain data in scientific notation.
* Added a non-trivial origin to test.dx.
* tests changes in commit 630f99.  Versions previous to this will not
  be able to read the file.
* Including @tluchko in AUTHORS and updating the CHANGELOG
* Updated OpenDX test script to go with new test file
* Added comments for REAL regular expression

161 of 224 branches covered (71.88%)

17 of 17 new or added lines in 1 file covered. (100.0%)

633 of 749 relevant lines covered (84.51%)

3.23 hits per line

Relevant lines Covered
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Build:
749 RELEVANT LINES 633 COVERED LINES
3.23 HITS PER LINE
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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
142 master Updated parsing for DX files (#52) * Fixed openDX parser so it can read all floats; previously, the parser would choke on lines line 0.0 -1e-6 0.0 by splitting it into tokens '0.0', '-1', 'e-6', '0.0'. * Modified the floa... push 14 Aug 2018 10:54PM UTC orbeckst travis-ci pending completion  
141 master Another fix for tests. This time they pass locally... Pull #52 13 Aug 2018 11:28PM UTC web-flow travis-ci pending completion  
135 master Accelerated reading of DX files. Skipping the parser for reading in data Pull #52 29 Jul 2018 10:34PM UTC web-flow travis-ci pending completion  
134 master create sitemap.xml - install https://github.com/jdillard/sphinx-sitemap - see https://github.com/MDAnalysis/MDAnalysis.github.io/issues/78 push 07 May 2018 11:29PM UTC orbeckst travis-ci pending completion  
133 master improved doc formatting for Grid push 20 Jan 2018 09:47PM UTC orbeckst travis-ci pending completion  
132 master updated README and doc index - updated anaconda badge (use conda-forge instead of MDAnalysis channel) - added conda installation instructions - added zenodo badge to docs push 20 Jan 2018 08:56PM UTC orbeckst travis-ci pending completion  
131 master use longdouble instead of float128 in test_write_dx_ValueError (#45) * use longdouble instead of float128 in test_write_dx_ValueError float128 doesn't exist on 32-bit arches and longdouble maps to float96 there. See also https://github.com/nu... push 20 Jan 2018 05:52PM UTC orbeckst travis-ci pending completion  
130 master use longdouble instead of float128 in test_write_dx_ValueError float128 doesn't exist on 32-bit arches and longdouble maps to float96 there. See also https://github.com/numpy/numpy/issues/5272 . This fixes issue #44. Pull #45 20 Jan 2018 12:38AM UTC web-flow travis-ci pending completion  
129 master use longdouble instead of float128 in test_write_dx_ValueError float128 doesn't exist on 32-bit arches and longdouble maps to float96 there. See also https://github.com/numpy/numpy/issues/5272 . This fixes issue #44. Pull #45 19 Jan 2018 02:10PM UTC web-flow travis-ci pending completion  
127 master prepare for release 0.4.0 (#38) - updated CHANGELOG - updated conda meta.yml push 17 Jan 2018 09:50PM UTC orbeckst travis-ci pending completion  
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