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Fix cyclic import in PROPKA #49

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sobolevnrm opened this issue May 28, 2020 · 0 comments · Fixed by #50
Closed

Fix cyclic import in PROPKA #49

sobolevnrm opened this issue May 28, 2020 · 0 comments · Fixed by #50

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@sobolevnrm
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propka\version.py:1:0: R0401: Cyclic import (propka.bonds -> propka.calculations) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand -> propka.calculations -> propka.protonate) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.conformation_container -> propka.coupled_groups -> propka.group -> propka.ligand_pka_values -> propka.pdb) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.protonate) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand_pka_values -> propka.pdb) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand_pka_values -> propka.pdb -> propka.conformation_container -> propka.determinants -> propka.calculations -> propka.protonate) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand_pka_values -> propka.calculations -> propka.protonate) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand_pka_values -> propka.molecular_container -> propka.pdb) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.conformation_container -> propka.coupled_groups -> propka.group -> propka.ligand_pka_values -> propka.molecular_container) (cyclic-import)
propka\version.py:1:0: R0401: Cyclic import (propka.atom -> propka.group -> propka.ligand_pka_values -> propka.molecular_container -> propka.version -> propka.calculations -> propka.protonate) (cyclic-import)
sobolevnrm added a commit to Electrostatics/propka-3.1 that referenced this issue May 30, 2020
@sobolevnrm
Break propka.calculations into parts.
461edda 
Broken into three files to simplify import analysis:

* `calculations.py` - distance calculations and simple math
* `energy.py` - energy calculations
* `hydrogens.py` - hydrogen geometry calculations

Working towards addressing jensengroup#49
@sobolevnrm sobolevnrm mentioned this issue May 30, 2020
Merged
sobolevnrm added a commit to Electrostatics/propka-3.1 that referenced this issue May 30, 2020
@sobolevnrm
Remove cyclic import based on atom.py
397d5e1 
Partially addresses jensengroup#49
sobolevnrm added a commit to Electrostatics/propka-3.1 that referenced this issue May 30, 2020
@sobolevnrm
Remove cyclic import based on I/O in pdb.py.
b597a6f 
Partially addresses jensengroup#49
sobolevnrm added a commit to Electrostatics/propka-3.1 that referenced this issue May 30, 2020
@sobolevnrm
Resolve cyclic import problem.
84846aa 
Fixes jensengroup#49

Moved I/O into higher level of of code; should make
issue jensengroup#51
easier to resolve
@IAlibay IAlibay mentioned this issue Nov 15, 2020
Closed
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Resolve cyclic import issues Electrostatics/propka-3.1
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@sobolevnrm