structure generation overhaul #296
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hope this isn't awful
added move_point compatibility
no_tabs brought back
fixed trailing whitespace
needed for my structgen changes
added import copy
made dist a float
caveats for more unforseen instances of core3D building
fixed writemol2
smart generation default change and addition to mcomplex
changed writemol2 to hopefully pass test
no_tabs fix 1
no_tabs fix 2
![github-advanced-security[bot]](https://avatars.githubusercontent.com/in/57789?s=60&v=4){kind=small}
| obConversion.SetOutFormat("xyz") | ||
| obConversion.WriteFile(OBMol,fname+'BABEL.xyz') | ||
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| # check if overextended H: |
Check warning
Code scanning / CodeQL
Variable defined multiple times Warning
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #296 +/- ##
==========================================
+ Coverage 37.23% 37.29% +0.05%
==========================================
Files 90 90
Lines 30025 30210 +185
==========================================
+ Hits 11179 11266 +87
- Misses 18846 18944 +98
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. 🚨 Try these New Features:
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Big change merge, work with overwrite and smart_generation |
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