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Added docs help and cleaning of remove sandbox
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gbayarri committed Jan 28, 2025
1 parent c68fab9 commit a816bef
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Showing 14 changed files with 32 additions and 1 deletion.
2 changes: 2 additions & 0 deletions biobb_io/api/alphafold.py
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Expand Up @@ -118,6 +118,8 @@ def alphafold(output_pdb_path: str, properties: Optional[dict] = None, **kwargs)
output_pdb_path=output_pdb_path, properties=properties, **kwargs
).launch()

alphafold.__doc__ = AlphaFold.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/api_binding_site.py
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Expand Up @@ -130,6 +130,8 @@ def api_binding_site(
output_json_path=output_json_path, properties=properties, **kwargs
).launch()

api_binding_site.__doc__ = ApiBindingSite.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/canonical_fasta.py
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Expand Up @@ -120,6 +120,8 @@ def canonical_fasta(
output_fasta_path=output_fasta_path, properties=properties, **kwargs
).launch()

canonical_fasta.__doc__ = CanonicalFasta.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/ideal_sdf.py
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Expand Up @@ -118,6 +118,8 @@ def ideal_sdf(output_sdf_path: str, properties: Optional[dict] = None, **kwargs)
output_sdf_path=output_sdf_path, properties=properties, **kwargs
).launch()

ideal_sdf.__doc__ = IdealSdf.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/ligand.py
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Expand Up @@ -118,6 +118,8 @@ def ligand(output_pdb_path: str, properties: Optional[dict] = None, **kwargs) ->
output_pdb_path=output_pdb_path, properties=properties, **kwargs
).launch()

ligand.__doc__ = Ligand.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/mddb.py
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Expand Up @@ -153,6 +153,8 @@ def mddb(output_top_path: str, output_trj_path: str, properties: Optional[dict]
output_top_path=output_top_path, output_trj_path=output_trj_path, properties=properties, **kwargs
).launch()

mddb.__doc__ = MDDB.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/memprotmd_sim.py
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Expand Up @@ -113,6 +113,8 @@ def memprotmd_sim(
output_simulation=output_simulation, properties=properties, **kwargs
).launch()

memprotmd_sim.__doc__ = MemProtMDSim.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/memprotmd_sim_list.py
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Expand Up @@ -102,6 +102,8 @@ def memprotmd_sim_list(
output_simulations=output_simulations, properties=properties, **kwargs
).launch()

memprotmd_sim_list.__doc__ = MemProtMDSimList.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/memprotmd_sim_search.py
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Expand Up @@ -113,6 +113,8 @@ def memprotmd_sim_search(
output_simulations=output_simulations, properties=properties, **kwargs
).launch()

memprotmd_sim_search.__doc__ = MemProtMDSimSearch.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/mmcif.py
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Expand Up @@ -118,6 +118,8 @@ def mmcif(output_mmcif_path: str, properties: Optional[dict] = None, **kwargs) -
output_mmcif_path=output_mmcif_path, properties=properties, **kwargs
).launch()

mmcif.__doc__ = Mmcif.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/pdb.py
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Expand Up @@ -123,6 +123,8 @@ def pdb(output_pdb_path: str, properties: Optional[dict] = None, **kwargs) -> in
output_pdb_path=output_pdb_path, properties=properties, **kwargs
).launch()

pdb.__doc__ = Pdb.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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7 changes: 6 additions & 1 deletion biobb_io/api/pdb_cluster_zip.py
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Expand Up @@ -132,7 +132,10 @@ def launch(self) -> int:
fu.log("Zipping the pdb files to: %s" % self.output_pdb_zip_path)
fu.zip_list(self.output_pdb_zip_path, file_list, out_log=self.out_log)

self.tmp_files.extend([self.stage_io_dict.get("unique_dir", ""), unique_dir])
self.tmp_files.extend([
# self.stage_io_dict.get("unique_dir", ""),
unique_dir
])
self.remove_tmp_files()

self.check_arguments(output_files_created=True, raise_exception=False)
Expand All @@ -150,6 +153,8 @@ def pdb_cluster_zip(
output_pdb_zip_path=output_pdb_zip_path, properties=properties, **kwargs
).launch()

pdb_cluster_zip.__doc__ = PdbClusterZip.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/pdb_variants.py
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Expand Up @@ -175,6 +175,8 @@ def pdb_variants(
**kwargs,
).launch()

pdb_variants.__doc__ = PdbVariants.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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2 changes: 2 additions & 0 deletions biobb_io/api/structure_info.py
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Expand Up @@ -118,6 +118,8 @@ def structure_info(
output_json_path=output_json_path, properties=properties, **kwargs
).launch()

structure_info.__doc__ = StructureInfo.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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