pyLoopSage 1.1.0__tar.gz → 1.1.1__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (24) hide show
  1. {pyloopsage-1.1.0/pyLoopSage.egg-info → pyloopsage-1.1.1}/PKG-INFO +2 -2
  2. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/README.md +1 -1
  3. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/__init__.py +1 -1
  4. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/stochastic_simulation.py +6 -6
  5. {pyloopsage-1.1.0 → pyloopsage-1.1.1/pyLoopSage.egg-info}/PKG-INFO +2 -2
  6. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/setup.py +1 -1
  7. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/LICENSE +0 -0
  8. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/MANIFEST.in +0 -0
  9. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/args_definition.py +0 -0
  10. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/em.py +0 -0
  11. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/forcefields/classic_sm_ff.xml +0 -0
  12. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/initial_structures.py +0 -0
  13. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/md.py +0 -0
  14. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/plots.py +0 -0
  15. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/preproc.py +0 -0
  16. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/run.py +0 -0
  17. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/utils.py +0 -0
  18. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/loopsage/vizualization_tools.py +0 -0
  19. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/pyLoopSage.egg-info/SOURCES.txt +0 -0
  20. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/pyLoopSage.egg-info/dependency_links.txt +0 -0
  21. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/pyLoopSage.egg-info/entry_points.txt +0 -0
  22. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/pyLoopSage.egg-info/requires.txt +0 -0
  23. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/pyLoopSage.egg-info/top_level.txt +0 -0
  24. {pyloopsage-1.1.0 → pyloopsage-1.1.1}/setup.cfg +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: pyLoopSage
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- Version: 1.1.0
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+ Version: 1.1.1
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  Summary: An energy-based stochastic model of loop extrusion in chromatin.
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  Home-page: https://github.com/SFGLab/pyLoopSage
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  Author: Sebastian Korsak
@@ -313,7 +313,7 @@ An example, illustrated with Chimera software, simulated trajectory of structure
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  | CROSS_COEFF | LEF crossing coefficient. | float | 1.0 |
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  | CROSS_LOOP | True if the penalty is applied when mi<mj<ni<nj. False if it applies only when mj=ni. When false it is better to enable LEF_DRIFT as well. | bool |True |
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  | BIND_COEFF | CTCF binding coefficient. | float | 1.0 |
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- | BW_STRENGTHS | List of strengths corresponding to each .bw file. | list | None |
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+ | BW_STRENGTHS | List of strengths of the energy (floats) corresponding to each BW file. This equivalent to the `r` parameter in the LoopSage paper. | list | None |
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  #### Molecular Dynamics Simulation
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  | Argument Name | Description | Type | Default Value |
@@ -267,7 +267,7 @@ An example, illustrated with Chimera software, simulated trajectory of structure
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  | CROSS_COEFF | LEF crossing coefficient. | float | 1.0 |
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  | CROSS_LOOP | True if the penalty is applied when mi<mj<ni<nj. False if it applies only when mj=ni. When false it is better to enable LEF_DRIFT as well. | bool |True |
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  | BIND_COEFF | CTCF binding coefficient. | float | 1.0 |
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- | BW_STRENGTHS | List of strengths corresponding to each .bw file. | list | None |
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+ | BW_STRENGTHS | List of strengths of the energy (floats) corresponding to each BW file. This equivalent to the `r` parameter in the LoopSage paper. | list | None |
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  #### Molecular Dynamics Simulation
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  | Argument Name | Description | Type | Default Value |
@@ -1,4 +1,4 @@
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  # Importing specific functions or classes from submodules
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  from .run import main
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- __version__ = "1.1.0"
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+ __version__ = "1.1.1"
@@ -154,12 +154,12 @@ def slide(m_old, n_old, ms, ns, N_beads, rw=True, drift=True):
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  choices = np.array([-1, 1], dtype=np.int64)
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  r1 = np.random.choice(choices) if rw else -1
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  r2 = np.random.choice(choices) if rw else 1
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- m_new = m_old + r1 if m_old + r1>=0 else 0
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- if np.any(ns==m_new) and drift and m_old-r1<n_old-1:
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- m_new = m_old - r1 if m_old + r1>=0 else 0
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- n_new = n_old + r2 if n_old + r2<N_beads else N_beads-1
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- if np.any(ms==n_new) and drift and n_old-r2>m_old+1:
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- n_new = n_old - r2 if n_old + r2<N_beads else N_beads-1
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+ m_new = max(m_old + r1, 0)
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+ if np.any(ns == m_new) and drift and m_old - r1 < n_old - 1:
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+ m_new = max(m_old - r1, 0)
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+ n_new = min(n_old + r2, N_beads - 1)
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+ if np.any(ms == n_new) and drift and n_old - r2 > m_old + 1:
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+ n_new = min(n_old - r2, N_beads - 1)
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  return int(m_new), int(n_new)
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  @njit
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: pyLoopSage
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- Version: 1.1.0
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+ Version: 1.1.1
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  Summary: An energy-based stochastic model of loop extrusion in chromatin.
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  Home-page: https://github.com/SFGLab/pyLoopSage
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  Author: Sebastian Korsak
@@ -313,7 +313,7 @@ An example, illustrated with Chimera software, simulated trajectory of structure
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  | CROSS_COEFF | LEF crossing coefficient. | float | 1.0 |
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  | CROSS_LOOP | True if the penalty is applied when mi<mj<ni<nj. False if it applies only when mj=ni. When false it is better to enable LEF_DRIFT as well. | bool |True |
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  | BIND_COEFF | CTCF binding coefficient. | float | 1.0 |
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- | BW_STRENGTHS | List of strengths corresponding to each .bw file. | list | None |
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+ | BW_STRENGTHS | List of strengths of the energy (floats) corresponding to each BW file. This equivalent to the `r` parameter in the LoopSage paper. | list | None |
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  #### Molecular Dynamics Simulation
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  | Argument Name | Description | Type | Default Value |
@@ -6,7 +6,7 @@ with open('README.md', 'r', encoding='utf-8') as f:
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  setup(
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  name='pyLoopSage', # Package name
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- version='1.1.0', # Version of the software
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+ version='1.1.1', # Version of the software
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  description='An energy-based stochastic model of loop extrusion in chromatin.',
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  long_description=long_description,
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  long_description_content_type='text/markdown',
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