refactor and add format plugin system#168
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Codecov Report
@@ Coverage Diff @@
## master #168 +/- ##
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+ Coverage 79.59% 80.07% +0.48%
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Files 34 54 +20
Lines 4357 4553 +196
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+ Hits 3468 3646 +178
- Misses 889 907 +18
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| @Format.register("gro") | ||
| @Format.register("gromacs/gro") | ||
| class PwmatOutputFormat(Format): |
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Incorrect class name. Shouldn't be something like GromacsGroFormat?
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| @Format.register("quip/gap/xyz") | ||
| @Format.register("quip/gap/xyz_file") | ||
| class DeePMDRawFormat(Format): |
| > Data Summary | ||
| > Unlabeled System | ||
| > ------------------- | ||
| > Frame Numbers : 12 | ||
| > Atom Numbers : 20 | ||
| > Element List : | ||
| > ------------------- | ||
| > X | ||
| > 20 No newline at end of file |
| @@ -0,0 +1,22 @@ | |||
| # An example for plugin | |||
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How about adding a reference in the main README to this example?
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| @Format.register("mol") | ||
| @Format.register("mol_file") |
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Why here are 2 register decorators?
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All of the following usage will be supported:
from_mol(file_name)from_mol_file(file_name)to_mol(file_name)to_mol_file(file_name)BondOrderSystem(file_name, fmt='mol')BondOrderSystem(file_name, fmt='mol_file')to('mol', file_name)to('mol_file', file_name)
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It seems that I chose the wrong branch? We need to sync |
Yes you are right... |
fix two bugs that implemented in #168
4 participants
fix #164.