Replace atom Symbol with Integer constant comparison - #827
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…re convient if these are ints rather than bytes.
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Will look at the sonar cloud issues - expected since this touched a lot of classes |
…he original paper we see this is meant to be the SQRT(RADII) where this is different for each atom type.
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Kudos, SonarCloud Quality Gate passed! |
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Thanks. Looks good. This was not possible in the past, because atomic numbers were not automatically set. |
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Gotta catch em all... I think I got the vast majority of them. Resolves #546
I do wonder longer (CDK v3.0/v4.0) term if may making it just store and compare the enum.
Mainly because interface constants are a bit of a bad pattern but it is quite handy.