Feature/substancedescriptor #135
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- updated the package - added missing class JavaDoc - fixed method JavaDoc that still pointed to IAtomContainer
| getSpecification(), | ||
| getParameterNames(), | ||
| getParameters(), | ||
| new IntegerResult((int)Double.NaN), |
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This is boilerplate code from another class... I will look into it.
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Oh, got it... yeah, this isn't right... but, a lot of existing code with integer return values is affected :/
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OK, how about something like this: ecf66a2
That way, I can fix all the existing code too... I would still need to update the IDescriptor JavaDoc to indicate that such an implementation can be returned too... but first want your input.
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New patches: master...egonw:feature/substancedescriptor2 Plz comment on the NaN issue... |
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Okay pulled all but the NaN descriptor following previous discussions. |
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@johnmay please find here the first pull request around further substance development. This PR is about the ISubstanceDescriptor API with one example descriptor. If the code is in order, I will backport more descriptors from NanoJava.
Comments from everyone most welcome!