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Handle depiction corner case, do not put wavy bonds on unspecified do… #301

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merged 1 commit into from Apr 20, 2017

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johnmay
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@johnmay johnmay commented Apr 20, 2017

…uble bonds that aren't Sp2 atoms (e.g. Cis/Trans).

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…uble bonds that aren't Sp2 atoms (e.g. Cis/Trans).
default:
return false;
}
}
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Just saying... this kind of local atom type has caused a lot of issues in the past.

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One true way :-)

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The actual real fix here is to resolve how we store stereochemistry. DoubleBondStereoElement et al needs a third state (unknown).

case 14: // Si
case 32: // Ge
// double, single, single
return chg == 0 && btypes == 0x0102;
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So, what about a positively charged carbon with one double, one single bond...? Like C/[C+]=C\C ...

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Not allowed by InChI

@egonw egonw merged commit 3b5a079 into master Apr 20, 2017
@johnmay johnmay deleted the patch/wedgebondpriority branch June 17, 2017 10:14
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2 participants