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Merged
rasbt merged 5 commits into from
Mar 10, 2022
Merged

Get carbon bugfix #96

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c03443b
bugfix to get_carbon method #95
a-r-j Mar 10, 2022
20c6089
update changelog
a-r-j Mar 10, 2022
654ff58
update appveyor
rasbt Mar 10, 2022
edca360
fix test
a-r-j Mar 10, 2022
43155a7
Merge branch 'get_carbon_bugfix' of https://github.com/a-r-j/biopanda…
a-r-j Mar 10, 2022
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4 changes: 1 addition & 3 deletions .appveyor.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,7 @@ build: false

environment:
matrix:
- PYTHON_VERSION: 2.7
MINICONDA: C:\Miniconda
- PYTHON_VERSION: 3.5
- PYTHON_VERSION: 3.9
MINICONDA: C:\Miniconda3

init:
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6 changes: 3 additions & 3 deletions biopandas/pdb/pandas_pdb.py
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Expand Up @@ -358,11 +358,11 @@ def _get_calpha(df, invert):

@staticmethod
def _get_carbon(df, invert):
"""Return c-alpha atom entries from a DataFrame"""
"""Return carbon atom entries from a DataFrame"""
if invert:
return df[df['element_symbol'] == 'C']
else:
return df[df['element_symbol'] != 'C']
else:
return df[df['element_symbol'] == 'C']

@staticmethod
def _construct_df(pdb_lines):
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2 changes: 1 addition & 1 deletion biopandas/pdb/tests/test_read_pdb.py
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Expand Up @@ -192,4 +192,4 @@ def test_get_df():
assert shape == (1330, 21), shape

shape = ppdb.get('carbon', records=('ATOM',)).shape
assert shape == (473, 21), shape
assert shape == (857, 21), shape
4 changes: 2 additions & 2 deletions docs/CHANGELOG.md
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Expand Up @@ -19,8 +19,8 @@ The CHANGELOG for the current development version is available at

##### Bug Fixes

- Fixes a bug where coordinates with more than 4 digits before the decimal point caused a column shift when saving a PDB file. (via PR [90](https://github.com/rasbt/biopandas/pull/90/files)

- Fixes a bug where coordinates with more than 4 digits before the decimal point caused a column shift when saving a PDB file. (via PR #[90](https://github.com/rasbt/biopandas/pull/90/files))
- Fixes a bug where the invert parameter in get_carbon was selecting the wrong case. (via PR #[96](https://github.com/rasbt/biopandas/pull/96/files))

### 0.2.9 (08-30-2021)

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