bool OEWrite2DRingDictionaryReport(const std::string &filename, const OEChem::OE2DRingDictionary &ringdict, const OEReportOptions &opts) bool OEWrite2DRingDictionaryReport(OEPlatform::oeostream &os, const std::string &extension, const OEChem::OE2DRingDictionary &ringdict, const OEReportOptions &opts)
Writes a report of the 2D ring layouts stored in the given ring dictionary. See example in Table Example of ring dictionary report.
- The filename into which the report is written. The file extension determines the type of the multi-page image.
- The stream into which the report is written.
- The extension which determine the type of the multi-page report.
- The OE2DRingDictionary object that stores ring 2D layouts that can be used to plug into the 2D coordinate generation system.
- The OEReportOptions object that determines the layout of the pages of the report.
The report depicts each ring systems stored in the ring dictionary.
- The string at the top is the canonical isomeric SMILES that is used as the identifier for the given ring system.
- The larger depiction on the left shows the user-defined layout of the ring system
- The smaller depiction on the right illustrates the default layout of the ring system i.e. when
the 2D coordinates are generated by OEChem TK without utilizing the given user-defined ring
- The blue box indicates that OEChem TK has already have a built-in layout for the given ring system.
- The pink box indicates that the layout of that ring system would be generated on the fly by default without utilizing any built-in templates.
- There are cases when cis/trans bonds are marked on the macro-cycles depicted inside the blue/pink boxes. These annotations indicate potential depiction problem in OEChem TK.
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