| Name | sponge-test JSON |
| Version |
1.3.1
JSON |
| download |
| home_page | |
| Summary | A Python package to do the unit test for SPONGE |
| upload_time | 2023-03-12 06:07:20 |
| maintainer | |
| docs_url | None |
| author | Yijie Xia |
| requires_python | >=3.6 |
| license | |
| keywords |
|
| VCS |
|
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
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| coveralls test coverage |
No coveralls.
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Installation
-------------
.. code:: bash
pip install sponge-test
Usage
---------
Command Line
==============
.. code:: bash
sponge-test [options]
For example::
sponge-test -s -v -k rmsd
Python Script
==============
There are 6 built-in systems
1. water
2. H2O2
3. dipeptide
4. ala12
5. bad_water
6. bad_dipeptide
For each system, there are two attributes named "prefix" and "description".
.. code:: python
from sponge_test import water
import os
print(water.prifix, water.description)
assert os.system(f"SPONGE -default_in_file_prefix {water.prefix}") == 0
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