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dev/azure-windows-update
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3 Commits

Author SHA1 Message Date
Greg Landrum
848aacc231 add export flags for the MolStandardize library (#2072) 2018-09-29 07:43:07 +02:00
Greg Landrum
abcecf7456 enable SVG parsing from Python (#2045) 
* add SVG parsing to python
re-enable the moldraw2d tests

* A couple of fixes connected to #2029

* handle problems parsing atom/bond SMILES

* wrap the whole thing in the <metadata> tag

* patch a memory allocation problem in the maeparser v1.0.0 (#2044)
 2018-09-17 20:20:21 +02:00
Greg Landrum
b91daa8ab9 Allow dumping interchange information into SVG files (#2030) 
* add atoms

* add bonds

* backup

* Fixes #2029

* Get metadata working for drawMolecules()

* add to python wrapper
const correctness

* also connected to #2029: make sure bond direction also ends up in the output

* initial version of an SVG->ROMol parser
this is in the wrong place, but I wanted to make sure it actually works

* move svg parser to a more reasonable location
there is still some work to be done here

* add conformer parsing
 2018-09-17 06:49:43 +02:00