More consistent MOLfile/SDfile property handling. #972
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…th V2000. We also make sure we are consistent with the $$$$ handling and enforce it must only "start with" this tag.
…ead the properties there as well.
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OK should be good now, hold off merging right away I might add in the property consistent the writers as well. |
Holding off... |
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@johnmay, should I still hold off? |
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Yep will remind me to finish it! Doing an InChI meeting ATM but will have time later in week |
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Some progress but the whole IO settings makes this a pain. Since we end up with multiple settings with the same name shared between the different writers. Hence really these need to be merged into one. |
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There is also a annoyance the SDFWriter can accept a set of properties to write... so probably need a |
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I might just make that a API only setting for now |
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OK I think this is good, I will check the code smells when they come in though. Ultimately I need to get working on the V2000/V3000 merging |
…should check if it already exists. This allows the base V2000/3000 writers to not emit SD tags by default, but when they are used in the SDWriter then they can emit the tags
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SonarCloud Quality Gate failed. |
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@johnmay, shall we merge this one in? |
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On holiday at the moment so will check when I am back on Wednesday/Thursday |
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I will check this tomorrow |
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Good to go! |
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Locally resolved the conflicted and merged. |
Fixes #971.
Also removes the property reading from the Iterating Reader since the base readers now do it. We can do a little better with the IteratingSDFReader loop - will try and add that tonight.