document (and test) setting DX array type (#1725) #1746
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This is going to fail until we have a 0.4.0 release of GridDataFormats (which requires merging of PR MDAnalysis/GridDataFormats#36). |
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This was referenced Jan 12, 2018
richardjgowers
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Jan 16, 2018
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Resolved a conflict (through GH) and let the tests run again (now that GridDataFormats has ana official 0.4.0 release) out. |
- requires gridDataFormats >= 0.4.0 - documented that PyMOL requires type="double" (see MDAnalysis/GridDataFormats#35 for details) - link to GridDataFormats docs for OpenDX type - use intersphinx to the mdanalysis.org GridDataFormats docs instead of RTD (better brand experience by staying inside mdanalysis.org...) - added tests for Density.export(..., type=<type>) -- note that they really only test gridData.Grid.export() - updated CHANGELOG - fixes #1725
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Fixed a sphinx issue, added a link to the GDF docs, and use our mdanalysis.org-hosted GDF docs instead of the RTD-hosted ones for intersphinx links for the docs. Rebased and force-pushed. |
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Fixes #1725
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