Patch/cdk ctab #326
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Patch/cdk ctab #326
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egonw
reviewed
May 25, 2017
| public class MDLRXNReader extends DefaultChemObjectReader { | ||
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| BufferedReader input = null; | ||
| private static ILoggingTool logger = LoggingToolFactory.createLoggingTool(MDLReader.class); | ||
| private static ILoggingTool logger = LoggingToolFactory.createLoggingTool(MDLRXNReader.class); |
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sigh, that that went unnoticed...
egonw
requested changes
May 25, 2017
| /* Copyright (C) 2003-2007 The Chemistry Development Kit (CDK) project | ||
| * 2014 Mark B Vine (orcid:0000-0002-7794-0426) | ||
| /* | ||
| * Copyright (c) 2017 John Mayfield <jwmay@users.sf.net> |
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Please retain the original copyright statements too.
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Doh over optimisitic IDE likes to change these thought I got them all
…cdk-group module was indirectly using cdk-io via cdk-smiles.
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Rebased and fixed requested issue. |
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Mmm... it seems that with the rebase, it also lost my request? |
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@johnmay it seems that Travis reports a compile issue for the rebased version... |
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Resolved - your request was 540df06 |
egonw
approved these changes
Jun 4, 2017
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Here's what I had in mind from #325. We move some base/abstract functionality out of cdk-io and into cdk-core/cdk-interfaces. This allows us to split out the MDL formats into a new cdk-ctab module. Also allow us to decouple cdk-smiles from the rest of cdk-io.
Also possible to have a cdk-pubchem, and cdk-sybyl (tripos/mol2 - not sure on name) modules which I'll also add.
Depends on #325