westpa 2022.6__cp311-cp311-macosx_10_9_x86_64.whl → 2022.7__cp311-cp311-macosx_10_9_x86_64.whl

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.

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westpa/__init__.py CHANGED
@@ -12,7 +12,3 @@ rc = _rc.WESTRC()
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  __version__ = get_versions()["version"]
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13
 
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  del get_versions
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-
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- from . import _version
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-
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- __version__ = _version.get_versions()['version']
westpa/_version.py CHANGED
@@ -8,11 +8,11 @@ import json
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8
 
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  version_json = '''
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  {
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- "date": "2023-10-20T12:52:31-0400",
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+ "date": "2024-04-02T11:29:16-0400",
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  "dirty": false,
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  "error": null,
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- "full-revisionid": "ef5fbd3e0aeb4d08160fc56ee39cca6ba75e3217",
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- "version": "2022.06"
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+ "full-revisionid": "d48640fc3fff59f2f8470d6e7170a73f72fff5c6",
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+ "version": "2022.07"
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  }
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  ''' # END VERSION_JSON
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@@ -159,13 +159,6 @@ Command-line options
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  except ValueError:
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  self.total_walkers[:] += west['summary'][:-1]['n_particles'][: len(self.total_walkers)]
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- class Segment:
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- def __init__(self, weight=0, iteration=0, simid=0, recycled_in=0):
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- self.weight = weight
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- self.iteration = iteration
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- self.simid = simid
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- self.recycled_in = recycled_in
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-
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  def go(self):
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  pi = self.progress.indicator
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  self.istates = True # Assume serendipitously istates is same between runs...
@@ -174,7 +167,11 @@ Command-line options
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  self.open_files()
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  self.total_number_of_walkers()
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  if self.auxall is True:
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- self.aux = list(self.westH5[1]['iterations/iter_00000001/auxdata'].keys())
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+ try:
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+ self.aux = list(self.westH5[1]['iterations/iter_00000001/auxdata'].keys())
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+ except KeyError:
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+ self.aux = None
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+ log.warning('No auxdata. Proceeding forward without merging auxdata.')
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  # Create a giant WEST.h5 file, separating the individual walkers, and renormalizing the weights.
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  # It should then be compatible with existing toolsets.
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  # Isn't really going to start with auxdata, but we'll add it in.
@@ -240,7 +237,7 @@ Command-line options
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  self.futr_iter[i] = []
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  self.past_rm[i] = []
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  self.futr_rm[i] = []
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- print(pi.new_operation('Recreating...', self.niters))
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+ pi.new_operation('Recreating...', self.niters)
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  # tracker = SummaryTracker()
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  # self.output_file.close()
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@@ -262,12 +259,20 @@ Command-line options
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  if addition.dtype != istate_dtype:
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  addition = create_idtype_array(addition)
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  final_istate_index = np.append(final_istate_index, addition)
265
- final_istate_pcoord = np.append(final_istate_pcoord, west['ibstates/0/istate_pcoord'][:])
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+ final_istate_pcoord = np.append(final_istate_pcoord, west['ibstates/0/istate_pcoord'][:], axis=0)
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263
 
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  # Saving them into self.output_file
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  self.output_file['ibstates/0'].create_dataset('istate_index', data=final_istate_index, dtype=istate_dtype)
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  self.output_file['ibstates/0'].create_dataset('istate_pcoord', data=final_istate_pcoord)
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267
 
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+ # Remaking the ibstates index link
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+ master_index_row = self.output_file['ibstates/index'][0]
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+ master_index_row['iter_valid'] = 0
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+ master_index_row['n_bstates'] = len(self.output_file['ibstates/0/bstate_index'])
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+ master_index_row['group_ref'] = self.output_file['ibstates/0'].ref
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+
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+ self.output_file['ibstates/index'][0] = master_index_row
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+
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276
  for iter in range(self.niters):
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  # We have the following datasets in each iteration:
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  # ibstates, which can now be combined with --ibstates
@@ -40,7 +40,6 @@ the total number of bins within the mapper.
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41
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  '''
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42
 
43
-
44
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  import hashlib
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  import logging
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  import pickle
@@ -410,6 +409,9 @@ class RecursiveBinMapper(BinMapper):
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409
 
411
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  # we have updated our list of recursed bins, so set our own start index to trigger a recursive
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  # reassignment of mappers' output values
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+ # Note that we're reordering the recursion targets based on outer bin numbers (dict keys) first,
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+ # so the order the mappers were added no longer matters...
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+ self._recursion_targets = {k: self._recursion_targets[k] for k in sorted(self._recursion_targets)}
413
415
  self.start_index = self.start_index
414
416
 
415
417
  def assign(self, coords, mask=None, output=None):
@@ -91,7 +91,7 @@ def trajectory_loader(fieldname, coord_folder, segment, single_point):
91
91
  data = load_trajectory(coord_folder)
92
92
  segment.data['iterh5/trajectory'] = data
93
93
  except Exception as e:
94
- log.warning('could not read any data for {}: {}'.format(fieldname, str(e)))
94
+ log.warning('could not read any {} data for HDF5 Framework: {}'.format(fieldname, str(e)))
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95
 
96
96
 
97
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  def restart_loader(fieldname, restart_folder, segment, single_point):
@@ -105,7 +105,7 @@ def restart_loader(fieldname, restart_folder, segment, single_point):
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105
 
106
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  segment.data['iterh5/restart'] = d.getvalue() + b'\x01' # add tail protection
107
107
  except Exception as e:
108
- log.warning('could not read any data for {}: {}'.format(fieldname, str(e)))
108
+ log.warning('could not read any {} data for HDF5 Framework: {}'.format(fieldname, str(e)))
109
109
  finally:
110
110
  d.close()
111
111
 
@@ -123,7 +123,7 @@ def restart_writer(path, segment):
123
123
  safe_extract(t, path=path)
124
124
 
125
125
  except ValueError as e:
126
- log.warning('could not write restart data for {}: {}'.format(str(segment), str(e)))
126
+ log.warning('could not write HDF5 Framework restart data for {}: {}'.format(str(segment), str(e)))
127
127
  d = BytesIO()
128
128
  if segment.n_iter == 1:
129
129
  log.warning(
@@ -132,7 +132,7 @@ def restart_writer(path, segment):
132
132
  )
133
133
  )
134
134
  except Exception as e:
135
- log.warning('could not write restart data for {}: {}'.format(str(segment), str(e)))
135
+ log.warning('could not write HDF5 Framework restart data for {}: {}'.format(str(segment), str(e)))
136
136
  finally:
137
137
  d.close()
138
138
 
@@ -584,7 +584,7 @@ class ExecutablePropagator(WESTPropagator):
584
584
  try:
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  loader(dataset, filename, segment, single_point=single_point)
586
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  except Exception as e:
587
- log.error('could not read {} from {!r}: {!r}'.format(dataset, filename, e))
587
+ log.error('could not read {} for segment {} from {!r}: {!r}'.format(dataset, segment.seg_id, filename, e))
588
588
  segment.status = Segment.SEG_STATUS_FAILED
589
589
  break
590
590
  else:
@@ -595,9 +595,11 @@ class ExecutablePropagator(WESTPropagator):
595
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  else:
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596
  shutil.rmtree(filename)
597
597
  except Exception as e:
598
- log.warning('could not delete {} file {!r}: {!r}'.format(dataset, filename, e))
598
+ log.warning(
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+ 'could not delete {} file {!r} for segment {}: {!r}'.format(dataset, filename, segment.seg_id, e)
600
+ )
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601
  else:
600
- log.debug('deleted {} file {!r}'.format(dataset, filename))
602
+ log.debug('deleted {} file {!r} for segment {}'.format(dataset, filename, segment.seg_id))
601
603
 
602
604
  # Specific functions required by the WEST framework
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605
  def get_pcoord(self, state):
westpa/core/states.py CHANGED
@@ -66,7 +66,7 @@ class BasisState:
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  )
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67
 
68
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  @classmethod
69
- def states_from_file(cls, filename):
69
+ def states_from_file(cls, statefile):
70
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  '''Read a file defining basis states. Each line defines a state, and contains a label, the probability,
71
71
  and optionally a data reference, separated by whitespace, as in::
72
72
 
@@ -80,7 +80,13 @@ class BasisState:
80
80
  '''
81
81
  states = []
82
82
  lineno = 0
83
- for line in open(filename, 'rt'):
83
+
84
+ try:
85
+ open_statefile = open(statefile, 'rt')
86
+ except TypeError:
87
+ open_statefile = statefile
88
+
89
+ for line in open_statefile:
84
90
  lineno += 1
85
91
 
86
92
  # remove comment portion
@@ -93,7 +99,7 @@ class BasisState:
93
99
  try:
94
100
  probability = float(fields[1])
95
101
  except ValueError:
96
- raise ValueError('invalid probability ({!r}) {} line {:d}'.format(fields[1], filename, lineno))
102
+ raise ValueError('invalid probability ({!r}) {} line {:d}'.format(fields[1], statefile, lineno))
97
103
 
98
104
  try:
99
105
  auxref = fields[2].strip()
@@ -101,6 +107,12 @@ class BasisState:
101
107
  auxref = None
102
108
 
103
109
  states.append(cls(state_id=None, probability=probability, label=label, auxref=auxref))
110
+
111
+ try:
112
+ open_statefile.close()
113
+ except Exception:
114
+ pass
115
+
104
116
  return states
105
117
 
106
118
  def as_numpy_record(self):
@@ -293,6 +305,10 @@ class TargetState:
293
305
  open_statefile = statefile
294
306
 
295
307
  for line in open_statefile:
308
+ line = line.partition('#')[0].strip()
309
+ if not line:
310
+ continue
311
+
296
312
  fields = line.split()
297
313
  labels.append(fields[0])
298
314
  pcoord_values.append(np.array(list(map(dtype, fields[1:])), dtype=dtype))
westpa/core/yamlcfg.py CHANGED
@@ -142,6 +142,7 @@ class YAMLConfig:
142
142
  val = val[keypart]
143
143
  except KeyError:
144
144
  val[keypart] = {}
145
+ val = val[keypart]
145
146
  try:
146
147
  val = val[key[-1]]
147
148
  except KeyError:
Binary file
westpa/tools/__init__.py CHANGED
@@ -1,4 +1,5 @@
1
1
  '''tools -- classes for implementing command-line tools for WESTPA'''
2
+
2
3
  from .core import WESTTool, WESTParallelTool, WESTToolComponent, WESTSubcommand, WESTMasterCommand, WESTMultiTool
3
4
  from .data_reader import WESTDataReader, WESTDSSynthesizer, WESTWDSSynthesizer
4
5
  from .iter_range import IterRangeSelection
@@ -1,6 +1,5 @@
1
1
  '''Routines for configuring the work manager environment'''
2
2
 
3
-
4
3
  import os
5
4
  import re
6
5
 
@@ -4,7 +4,6 @@ Created on Jun 11, 2015
4
4
  @author: mzwier
5
5
  '''
6
6
 
7
-
8
7
  import logging
9
8
 
10
9
  log = logging.getLogger(__name__)
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: westpa
3
- Version: 2022.6
3
+ Version: 2022.7
4
4
  Home-page: http://github.com/westpa/westpa
5
5
  License: MIT
6
6
  Classifier: Development Status :: 5 - Production/Stable
@@ -14,7 +14,7 @@ Classifier: Programming Language :: Cython
14
14
  Requires-Python: >=3.6
15
15
  License-File: LICENSE
16
16
  License-File: AUTHORS
17
- Requires-Dist: numpy >=1.16.0
17
+ Requires-Dist: numpy <2,>=1.16.0
18
18
  Requires-Dist: scipy >=0.19.1
19
19
  Requires-Dist: h5py >=2.10
20
20
  Requires-Dist: mdtraj >=1.9.5
@@ -25,8 +25,7 @@ Requires-Dist: blessings
25
25
  Requires-Dist: ipykernel
26
26
  Requires-Dist: tqdm
27
27
  Requires-Dist: pandas
28
- Requires-Dist: tables <3.9 ; python_version < "3.9"
29
- Requires-Dist: tables ; python_version >= "3.9"
28
+ Requires-Dist: tables
30
29
  Provides-Extra: dev
31
30
  Requires-Dist: pytest ; extra == 'dev'
32
31
  Requires-Dist: pytest-cov ; extra == 'dev'
@@ -49,7 +48,7 @@ WESTPA 2.0
49
48
 
50
49
  |docs| |usersgroup| |develgroup|
51
50
 
52
- .. |ghactions| image:: https://github.com/westpa/westpa/actions/workflows/test.yaml/badge.svg?branch=westpa-2.0-restruct
51
+ .. |ghactions| image:: https://github.com/westpa/westpa/actions/workflows/test.yaml/badge.svg?branch=westpa2
53
52
  :target: https://github.com/westpa/westpa/actions/workflows/test.yaml
54
53
  :alt: GitHub Actions
55
54
 
@@ -143,7 +142,7 @@ To install from source (**not recommended**), start by downloading the correspon
143
142
 
144
143
  .. _`releases page`: https://github.com/westpa/westpa/releases
145
144
  .. _`Anaconda Python distribution`: https://www.anaconda.com/products/individual
146
- .. _`wiki`: https://github.com/westpa/westpa/wiki/WESTPA-Quick-Install
145
+ .. _`wiki`: https://github.com/westpa/westpa/wiki/Installing-WESTPA
147
146
 
148
147
  ---------------
149
148
  Getting started
@@ -1,6 +1,6 @@
1
- westpa/_version.py,sha256=gua9VBHPEUbWe9nt3Ek_3zlQEBsP3JRUrAQCFMJntNw,499
2
- westpa/__init__.py,sha256=RjJx2giCdJ_b_-2gsJE_M0ecSlGk5rRoFqvHRNrQ4Qc,403
3
- westpa/fasthist/_fasthist.cpython-311-darwin.so,sha256=H1tWs81VIP6b16sEQss0CbbTS0Gf1fZOc1SKrGXyj-4,268800
1
+ westpa/_version.py,sha256=kgY0Vo1HgLoDf0W0yQvrVcgI_xCDyPtdG-tQoSq-lKA,499
2
+ westpa/__init__.py,sha256=xyNfYIcP2ncBLu_foO1NKmJrQh8-uYdwvMuM0HsOG1M,329
3
+ westpa/fasthist/_fasthist.cpython-311-darwin.so,sha256=vMyYxEeYr7Bq4R-b8mM1MKr-KTcuZoi7zeWBD0AG02E,268808
4
4
  westpa/fasthist/__init__.py,sha256=oWj0gKEkKfHjGHwkzmpgAxDz55h2ze_sqQVzWSsOP6s,1071
5
5
  westpa/fasthist/__main__.py,sha256=7XCBZvrKbBG3KEuQMpZD0jXa3vVMEVfZJTG8MmdbsrM,3902
6
6
  westpa/westext/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -25,7 +25,7 @@ westpa/tools/binning.py,sha256=oFtc_ld8b9JJUYt-AEMe4Z1L8XJ48Lsr8Iw6nTYgGNs,20718
25
25
  westpa/tools/selected_segs.py,sha256=cC6YKvhxj6IPz9ybF9Te89nBEKtcaypTjzKPPDQC2uc,4943
26
26
  westpa/tools/wipi.py,sha256=ozNkR9d3oAUQn_TCyCk2bEKQWEmn6_NOtjXzAJPN1kM,29046
27
27
  westpa/tools/plot.py,sha256=JlNe5GenVYjnEPNC_6kesu5qv9H6HFOfrBUjGHfSMqY,12854
28
- westpa/tools/__init__.py,sha256=-dhicvjYl20K0KwF1OTUO_dOqFJRXq-5FKEuDE8FLGE,1031
28
+ westpa/tools/__init__.py,sha256=HZ4dvK0DV20RfuSzbABWz1qJMIEd1MinBa4tnSDgXa0,1032
29
29
  westpa/tools/core.py,sha256=y8kn8TN_R8h3iRE5oES-0BFHk3QLQMOmN66HrlXLons,12102
30
30
  westpa/tools/dtypes.py,sha256=5aEHhfqX6BJuTBUyirehZJ_G3al1q5GSWZSHyQmhynU,913
31
31
  westpa/tools/data_reader.py,sha256=i4Uv4OGwiPN-vLrCGOf1vtgMgnLqIg0fYVA0Jn4iXG4,6316
@@ -45,42 +45,42 @@ westpa/core/trajectory.py,sha256=pGvaXNTLIpf9RZSabnvF8Bljppgx1mio01PF7yyEjE4,109
45
45
  westpa/core/segment.py,sha256=Gd_5htIZ6xKxxCms9XMtJncehGvMVxZeNdy4drxrnpc,4421
46
46
  westpa/core/progress.py,sha256=tEDDn-JPY6ZNzYqyrdgA7peo7pDu8kOMvqfyiHWUgps,6753
47
47
  westpa/core/data_manager.py,sha256=xeqt1MtjMGSRs7QN2zxRi0KrQ1cIV4L7JlOnBx-DEYE,71783
48
- westpa/core/states.py,sha256=0MWoSS0TKGLGX3LPH3j_XzioU5lHywEBwbRyrKymJCU,12512
49
- westpa/core/yamlcfg.py,sha256=Z4d3oPWjWlbTr4snOl1pZASDRpySTupu_ouPotdfaDI,12657
48
+ westpa/core/states.py,sha256=x35kads1nbE1jwWn7EH5oJElDnlERGvAzH-I2fGM7yU,12833
49
+ westpa/core/yamlcfg.py,sha256=B78OEr1n_sIkW6kDzl3FO63tiugaT-1VutAgLxU0i7A,12696
50
50
  westpa/core/kinetics/matrates.py,sha256=1sf7L6ojLE8yT2sFfgeB8eqgjMHdMK2O_Xgyz_RjCzc,5554
51
51
  westpa/core/kinetics/events.py,sha256=VqYBN5rVOf3hAYUA6xQ6UN7GP6tVgRFIoP69tfGhkTo,6511
52
52
  westpa/core/kinetics/__init__.py,sha256=djtiki7X5-IEzwjwswbdgrolwUIzVAHKxCiI5B3WH28,510
53
- westpa/core/kinetics/_kinetics.cpython-311-darwin.so,sha256=Uhe_p6NA7FvDMeWKyD5AXsrVDhGQl0n-DVu-CKZbkTE,431400
53
+ westpa/core/kinetics/_kinetics.cpython-311-darwin.so,sha256=Qd2mVGeWS--Pc88M-9wGpODvrUOvLgfMyu1L5362zTo,431408
54
54
  westpa/core/kinetics/rate_averaging.py,sha256=gIKDXBAOSDI6KythepoC4QipUPksTRBc9zbM7DRtwo4,10300
55
55
  westpa/core/binning/binless_driver.py,sha256=T5qWpLnjxCS9RdKeWf7eVCC_s6TQFDENL7X3VG6JIYo,2231
56
56
  westpa/core/binning/mab_driver.py,sha256=azSqc9pqHk_zc1ptGNjXARDbK-UAnPVmCiYwebi5mPY,2223
57
- westpa/core/binning/_assign.cpython-311-darwin.so,sha256=yr3vV3Q3DdXjv4OtNHAtesPO_YW4-yxnz2fIVGj2CTM,293056
57
+ westpa/core/binning/_assign.cpython-311-darwin.so,sha256=Lu4AG9Ro4BFz2UM7C2t4VmlKAOM0QdBjvVR7dOJJf7s,293056
58
58
  westpa/core/binning/binless.py,sha256=Fb9TI5swQntzXjmlWFbYQ9yjzjLxDKNVVdmRxRqOnIY,4056
59
59
  westpa/core/binning/__init__.py,sha256=XmjBP6fg_id_vDELkcWW3u2GeuL5OPWblvX-kc7mINk,1297
60
60
  westpa/core/binning/mab_manager.py,sha256=PUSA9J-dzmQdWQ9h5DEB9Eed6GVETf1EE43r6AvZLwI,9617
61
- westpa/core/binning/assign.py,sha256=ghhzjPS9Fu3UvIV8Y0pZo9UEKnKOjBNMLFfwsFXLdxI,17750
61
+ westpa/core/binning/assign.py,sha256=e1YWyU3R12evLAoIWUrEvv3uvdKFo4u_mfKGDcK5AVU,18028
62
62
  westpa/core/binning/binless_manager.py,sha256=XgsLaYhknzWA9IHCqOvmnLXSgM303KnKOUjLe1NM0Zw,9414
63
63
  westpa/core/binning/mab.py,sha256=YgNWCistmKPFbQp9TpFgnpgGWc-HZTvSwB6ZugPS0Oo,11614
64
64
  westpa/core/binning/bins.py,sha256=WDj7DNX3MTVkRvkgAooa9G8VThxw32uIfMTuk9sS194,1460
65
65
  westpa/core/reweight/matrix.py,sha256=219sRxkML1V9niPIndSoRvJAC0fUmpG0PLDKpmfWW-g,5509
66
66
  westpa/core/reweight/__init__.py,sha256=8goYojsHMcJCZblBC2sc2fcj-NUNVEstbSLswKNlVfg,284
67
- westpa/core/reweight/_reweight.cpython-311-darwin.so,sha256=y9-EO83LTCV4LdvuC1Jv8nI0nEFrmAeiaJhMhGI3mmw,350032
67
+ westpa/core/reweight/_reweight.cpython-311-darwin.so,sha256=qQMJ6kAmBAv81oPGj145ktn1zz51CGUptP8RNuOWMcI,350032
68
68
  westpa/core/propagators/__init__.py,sha256=rx_kkeg3Tbb_rI0uhLGCD3OwSYj9QuhxF8QGN3mILrg,2373
69
- westpa/core/propagators/executable.py,sha256=aEuA5T1mSzczsip_-o5QfUyZBIHSGonCHdssJrpIPDo,31560
69
+ westpa/core/propagators/executable.py,sha256=gm1TD3z9mA6o41j1kCRWwhv9mO1gX1pqJVoxBkG0kkM,31767
70
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  westpa/analysis/__init__.py,sha256=CcmVPCB9OSEib0mJ4U-s9v3nrj4h-T_9AGApAbPnn8I,268
71
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  westpa/analysis/core.py,sha256=P_m5-sU1RURAtWQVlV_Y2pgPvwUjyCqFS-E4O3fsD4E,22399
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  westpa/analysis/statistics.py,sha256=M3Gj1bOiAu_SA4upR7gENYEOP2gnIEaSOZeGyoIxAc8,789
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  westpa/analysis/trajectories.py,sha256=jyrbbKOVyZ3GjHQushDS_G8C4IRXlUmxa-WzmEEVGwc,12878
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  westpa/mclib/__init__.py,sha256=NskP81wKw-tHTniyJ8QbgKAHah5JdpCrnPKJo1T-nLw,11513
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  westpa/mclib/__main__.py,sha256=cKqfE9koMcrHkslEPpFISA4Eblwl0mllaxn7pFeyX1A,881
76
- westpa/mclib/_mclib.cpython-311-darwin.so,sha256=DpJwE1AsRNGGATq4HQMDVFIZX8BRFKwo6vE79P2cu-g,272448
76
+ westpa/mclib/_mclib.cpython-311-darwin.so,sha256=fySkbzcjN8vbee_0jwI_BlmFZdQKoyIr4KzIX0If2Bw,272456
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  westpa/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
78
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  westpa/cli/tools/w_direct.py,sha256=5Z9eQpvpKM-40XdiI0L3t0O3jpjMx7tk8ndYAaJxvrc,22361
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  westpa/cli/tools/w_dumpsegs.py,sha256=uv0WxvKGauyW6VT3zGyALUXVqSXwDrhwbF3ZVSJV9Mo,3952
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  westpa/cli/tools/w_postanalysis_matrix.py,sha256=owHtPNcD2RF33C-3oq4LhNWG6M-_nWCGenrNtV574Dc,3227
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  westpa/cli/tools/w_select.py,sha256=cNtuIgv8-P7bPyHDJmbrVwSasMFth5ULVTpz2QjVdfU,9717
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  westpa/cli/tools/ploterr.py,sha256=Fm4Yoexm2c1H5_H8t2GMsXncHcJAltWpp0c5XMnDpW0,18906
83
- westpa/cli/tools/w_multi_west.py,sha256=eV9HpnmL-ojbJIyiqE4YlgFdvAna9DwKRa8AY_0TiVw,19674
83
+ westpa/cli/tools/w_multi_west.py,sha256=Vye1OTiyFHaUkPKMxyOediE1_6hq-EMp7SeoaVO7rwk,20049
84
84
  westpa/cli/tools/w_ntop.py,sha256=6wiGWA5ZUy9RU4cOy6J0qSXbHO5uScF19w9N9AmiktQ,8204
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  westpa/cli/tools/w_kinavg.py,sha256=MjmomiIWoBnjfm8Pq-93y6DoCq26DbCxdJ5bcP-25Ys,4324
86
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  westpa/cli/tools/w_eddist.py,sha256=pAZVIOSgMiJxo7f6AXES_UhAwMaeK4S5Tl58O21hB-w,20056
@@ -107,7 +107,7 @@ westpa/cli/core/w_init.py,sha256=V_CvlAuq8flg-zUO01sbMGYkLqrEDD4DU9sV90bYFus,879
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  westpa/cli/core/w_succ.py,sha256=ZK1MHHu7t53VdBrRgJUe7b1R8DnhMKPjHOqbbOjC_As,3074
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  westpa/trajtree/__init__.py,sha256=K64Ok5bUP-fXo1H2rigJqxCnm-U23tJlRngNOnzR3gs,96
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  westpa/trajtree/trajtree.py,sha256=sLf4kTi0QyvFdbSR__YcPwOR2wcOxtlkC4IPUFcq-9M,4497
110
- westpa/trajtree/_trajtree.cpython-311-darwin.so,sha256=YDWKkuu6M27fJI68u49EJWvpb4kBbltnRrHIS0PljJI,154960
110
+ westpa/trajtree/_trajtree.cpython-311-darwin.so,sha256=mcF5FJelb4Ayz1aHFAh1MiU0HHJ8fGBPvU4jjSPT4lg,154960
111
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  westpa/oldtools/files.py,sha256=JmLtZqxD88cybEHcOU6kodAeOJYxylpYFl4OQqU13Hs,944
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  westpa/oldtools/miscfn.py,sha256=595W28JazmiU9ioDgOKU9ZxtXJue_q-8WcpOKTgkikQ,909
113
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  westpa/oldtools/__init__.py,sha256=rxAxsQNQMADy5j8xrqW_7Vk3D9ajM7lfDjHaKQHRDTI,62
@@ -135,16 +135,16 @@ westpa/work_managers/processes.py,sha256=zcHKanvTYnCNuU46F4EpqaRdj1XjtCe6ltw3g3b
135
135
  westpa/work_managers/threads.py,sha256=-Xktf-LPqVRf7sMW7Yqdc_ayO_4x_f0zA9iZS_G-fuI,2335
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  westpa/work_managers/mpi.py,sha256=ArxswC1CMgBc5rZ1nr4cQQvwHlCWAcN-BkZt8ilhSgk,9511
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  westpa/work_managers/serial.py,sha256=fo5Sql5wO4PdFy2VbcssWy0G459MJwKjRWkklK6nDxo,694
138
- westpa/work_managers/environment.py,sha256=Nm3jhI8qVocTpzyceHccXI5xzs3Ucg_tCUHNjSbYkJk,4949
138
+ westpa/work_managers/environment.py,sha256=WexOkNB8ovvByB78kXB6uzm7nlE-fIB42IpfLIvZzoI,4948
139
139
  westpa/work_managers/zeromq/worker.py,sha256=YE-iU7_yOiVIu8Aal5j-qrq8sNsG4JSVtRJAiFjnBcw,12940
140
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  westpa/work_managers/zeromq/__init__.py,sha256=rrl4YbEaZr2AiEBTMlhvEFH83dBlAwWR_1L8UkqoJVs,438
141
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  westpa/work_managers/zeromq/core.py,sha256=K3Iyrz5u2Dy-GgZFL3ZXDN2iaaLm7qL-A3cm4PdBiF8,22907
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142
  westpa/work_managers/zeromq/work_manager.py,sha256=UB_WvnejDRVi1ZU2QWpP9uzhnccOH7b3qHgU-wSstTY,22425
143
- westpa/work_managers/zeromq/node.py,sha256=8IgungKOlGaBFOvTakD_2Azq8BAY5ZmyoCJvAxO3dpI,4878
144
- westpa-2022.6.dist-info/RECORD,,
145
- westpa-2022.6.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
146
- westpa-2022.6.dist-info/AUTHORS,sha256=YMi91-Fs-vFgZKUaItfh20uXthT9oe2Kq6CQXmqMGqg,671
147
- westpa-2022.6.dist-info/WHEEL,sha256=1K25WgJ_KyfvTx-UW0AtTToB1lRjnG-GzH7SmFlnRPw,111
148
- westpa-2022.6.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
149
- westpa-2022.6.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
150
- westpa-2022.6.dist-info/METADATA,sha256=2R3Gm7KPdznbOFZArmSyvv9KQpabwvEsacyKvq4jaig,7522
143
+ westpa/work_managers/zeromq/node.py,sha256=CeoJhXVqrZxrV3lMnDtm3LNkGFxjS4dr3E6wd7ZQRTE,4877
144
+ westpa-2022.7.dist-info/RECORD,,
145
+ westpa-2022.7.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
146
+ westpa-2022.7.dist-info/AUTHORS,sha256=YMi91-Fs-vFgZKUaItfh20uXthT9oe2Kq6CQXmqMGqg,671
147
+ westpa-2022.7.dist-info/WHEEL,sha256=3Ij8bI-sb8yCMxXItr4MLlNoRGZb2WoUxQe9xIFR_DQ,111
148
+ westpa-2022.7.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
149
+ westpa-2022.7.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
150
+ westpa-2022.7.dist-info/METADATA,sha256=RgNgH_WTNDP0G-ZCbQQkjjASW2pOXIiGNdxGZ0vavcI,7432
@@ -1,5 +1,5 @@
1
1
  Wheel-Version: 1.0
2
- Generator: bdist_wheel (0.41.2)
2
+ Generator: bdist_wheel (0.43.0)
3
3
  Root-Is-Purelib: false
4
4
  Tag: cp311-cp311-macosx_10_9_x86_64
5
5