Fix PolyConf dihedral_solver() bug and quiet irrelevant warnings#73
Merged
lunamorrow merged 2 commits intomainfrom Feb 18, 2025
Merged
Fix PolyConf dihedral_solver() bug and quiet irrelevant warnings#73lunamorrow merged 2 commits intomainfrom
lunamorrow merged 2 commits intomainfrom
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…or chainID attributes so users do not have to worry about irrelevant warnings, as these datatypes are not required by PolyConf
…and doesn't loop forever if the first dihedral cannot be resolved
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Changes in this PR:
Will resolve issues #69 and #70
The dihedral_solver() function bug is now gone with a bandaid fix, but I would like to overhaul its method in the near future. It currently has a pair of nested while loops which are not friendly towards maintenance and future development of PolyConf.