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Added docs help and cleaning of remove sandbox
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gbayarri committed Jan 28, 2025
1 parent 0558cae commit 4fc1e8f
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Showing 8 changed files with 30 additions and 12 deletions.
9 changes: 6 additions & 3 deletions biobb_vs/fpocket/fpocket_filter.py
Original file line number Diff line number Diff line change
Expand Up @@ -222,9 +222,10 @@ def launch(self) -> int:
# Copy files to host
self.copy_to_host()

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

self.check_arguments(output_files_created=True, raise_exception=False)
Expand All @@ -250,6 +251,8 @@ def fpocket_filter(
**kwargs,
).launch()

fpocket_filter.__doc__ = FPocketFilter.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/fpocket/fpocket_run.py
Original file line number Diff line number Diff line change
Expand Up @@ -151,7 +151,7 @@ def launch(self) -> int:
self.__class__.__name__)

self.tmp_files.extend([
self.stage_io_dict.get("unique_dir", ""),
# self.stage_io_dict.get("unique_dir", ""),
self.tmp_folder
])
self.remove_tmp_files()
Expand All @@ -168,6 +168,8 @@ def fpocket_run(input_pdb_path: str, output_pockets_zip: str, output_summary: st
output_summary=output_summary,
properties=properties, **kwargs).launch()

fpocket_run.__doc__ = FPocketRun.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/fpocket/fpocket_select.py
Original file line number Diff line number Diff line change
Expand Up @@ -111,7 +111,7 @@ def launch(self) -> int:
self.copy_to_host()

self.tmp_files.extend([
self.stage_io_dict.get("unique_dir", ""),
# self.stage_io_dict.get("unique_dir", ""),
self.tmp_folder
])
self.remove_tmp_files()
Expand All @@ -130,6 +130,8 @@ def fpocket_select(input_pockets_zip: str, output_pocket_pdb: str, output_pocket
output_pocket_pqr=output_pocket_pqr,
properties=properties, **kwargs).launch()

fpocket_select.__doc__ = FPocketSelect.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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9 changes: 6 additions & 3 deletions biobb_vs/utils/bindingsite.py
Original file line number Diff line number Diff line change
Expand Up @@ -437,9 +437,10 @@ def launch(self) -> int:
# Copy files to host
self.copy_to_host()

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

self.check_arguments(output_files_created=True, raise_exception=False)
Expand All @@ -465,6 +466,8 @@ def bindingsite(
**kwargs,
).launch()

bindingsite.__doc__ = BindingSite.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/utils/box.py
Original file line number Diff line number Diff line change
Expand Up @@ -215,7 +215,7 @@ def launch(self) -> int:
# Copy files to host
self.copy_to_host()

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

self.check_arguments(output_files_created=True, raise_exception=False)
Expand All @@ -239,6 +239,8 @@ def box(
**kwargs,
).launch()

box.__doc__ = Box.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/utils/box_residues.py
Original file line number Diff line number Diff line change
Expand Up @@ -270,7 +270,7 @@ def launch(self) -> int:
# Copy files to host
self.copy_to_host()

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

return 0
Expand All @@ -292,6 +292,8 @@ def box_residues(
**kwargs,
).launch()

box_residues.__doc__ = BoxResidues.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/utils/extract_model_pdbqt.py
Original file line number Diff line number Diff line change
Expand Up @@ -167,7 +167,7 @@ def launch(self) -> int:
# Copy files to host
self.copy_to_host()

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

self.check_arguments(output_files_created=True, raise_exception=False)
Expand All @@ -191,6 +191,8 @@ def extract_model_pdbqt(
**kwargs,
).launch()

extract_model_pdbqt.__doc__ = ExtractModelPDBQT.__doc__


def main():
"""Command line execution of this building block. Please check the command line documentation."""
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4 changes: 3 additions & 1 deletion biobb_vs/vina/autodock_vina_run.py
Original file line number Diff line number Diff line change
Expand Up @@ -226,7 +226,7 @@ def launch(self) -> int:
self.copy_to_host()

# remove temporary folder(s)
self.tmp_files.extend([self.stage_io_dict.get("unique_dir", "")])
# self.tmp_files.extend([self.stage_io_dict.get("unique_dir", "")])
self.remove_tmp_files()

self.check_arguments(output_files_created=True, raise_exception=False)
Expand Down Expand Up @@ -256,6 +256,8 @@ def autodock_vina_run(
**kwargs,
).launch()

autodock_vina_run.__doc__ = AutoDockVinaRun.__doc__


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

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