westpa 2022.9__cp311-cp311-macosx_10_9_x86_64.whl → 2022.10__cp311-cp311-macosx_10_9_x86_64.whl

westpa/_version.py

@@ -8,11 +8,11 @@ import json
 
 version_json = '''
 {
- "date": "2024-05-22T14:48:11-0400",
+ "date": "2024-05-30T14:33:52-0400",
  "dirty": false,
  "error": null,
- "full-revisionid": "ce236bb304b11302a982af2ecb1f8cbb403d09f4",
- "version": "2022.09"
+ "full-revisionid": "40fe71e4e393b47e0a231b178add25696e469405",
+ "version": "2022.10"
 }
 '''  # END VERSION_JSON
 

westpa/core/h5io.py

@@ -18,7 +18,6 @@ from tables import NaturalNameWarning
 
 from mdtraj import Trajectory, join as join_traj
 from mdtraj.utils import in_units_of, import_, ensure_type
-from mdtraj.utils.six import string_types
 from mdtraj.formats import HDF5TrajectoryFile
 from mdtraj.formats.hdf5 import _check_mode, Frames
 
@@ -554,7 +553,7 @@ class WESTIterationFile(HDF5TrajectoryFile):
                 node = self._get_node(where='/', name=name)
                 data = get_item(node, slice)
                 in_units = node.attrs.units
-                if not isinstance(in_units, string_types):
+                if not isinstance(in_units, str):
                     in_units = in_units.decode()
                 data = in_units_of(data, in_units, out_units)
                 return data

{westpa-2022.9.dist-info → westpa-2022.10.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: westpa
-Version: 2022.9
+Version: 2022.10
 Summary: WESTPA is a package for constructing and running stochastic simulations using the "weighted ensemble" approach of Huber and Kim (1996).
 Home-page: http://github.com/westpa/westpa
 License: MIT

{westpa-2022.9.dist-info → westpa-2022.10.dist-info}/RECORD

@@ -1,6 +1,6 @@
-westpa/_version.py,sha256=LSHAM8jJ_erxibgj4h2_PXTivKwOfg1ZL92b--rsRXo,499
+westpa/_version.py,sha256=59zLCh9LAH2F-_2LpdnyAOIoxNag6VO6D7dhZZILmMY,499
 westpa/__init__.py,sha256=xyNfYIcP2ncBLu_foO1NKmJrQh8-uYdwvMuM0HsOG1M,329
-westpa/fasthist/_fasthist.cpython-311-darwin.so,sha256=G0wZno2Zw7MbxSQDZPBuAXRTWns9I8jUblfVWvFrIdo,246408
+westpa/fasthist/_fasthist.cpython-311-darwin.so,sha256=xxfTOjuXK4sKQas1xaWfK9fV8ddwxfO5GXoAZ41mfXg,246408
 westpa/fasthist/__init__.py,sha256=oWj0gKEkKfHjGHwkzmpgAxDz55h2ze_sqQVzWSsOP6s,1071
 westpa/fasthist/__main__.py,sha256=7XCBZvrKbBG3KEuQMpZD0jXa3vVMEVfZJTG8MmdbsrM,3902
 westpa/westext/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
@@ -40,7 +40,7 @@ westpa/core/textio.py,sha256=lqohyyyfMTkFvTdQ8V45yUpASiJsWTh42XAG15K63dA,2434
 westpa/core/extloader.py,sha256=yxyJN-lHo3Zjd6jS6_uhC1fIl52H-h8sbV9zYJfEWGg,2239
 westpa/core/sim_manager.py,sha256=eeCg5dALUyZ_Rm1eRRBSOpR_0UDBnyQlBvPkWY4IlzE,38653
 westpa/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-westpa/core/h5io.py,sha256=8oFrvNMFejgFGzxbcaHmdRqEd-PWjnOgyGjdI1Tdnb8,37128
+westpa/core/h5io.py,sha256=s3_Rt8ZjvCpumyDMKctQl406dmo8muRiHHd0L34Qtyk,37077
 westpa/core/trajectory.py,sha256=DL7rsowKxBc1jwT7FPZFlfCWKuwagttZxd3SPgxZKU0,10913
 westpa/core/segment.py,sha256=Gd_5htIZ6xKxxCms9XMtJncehGvMVxZeNdy4drxrnpc,4421
 westpa/core/progress.py,sha256=tEDDn-JPY6ZNzYqyrdgA7peo7pDu8kOMvqfyiHWUgps,6753
@@ -50,11 +50,11 @@ westpa/core/yamlcfg.py,sha256=B78OEr1n_sIkW6kDzl3FO63tiugaT-1VutAgLxU0i7A,12696
 westpa/core/kinetics/matrates.py,sha256=1sf7L6ojLE8yT2sFfgeB8eqgjMHdMK2O_Xgyz_RjCzc,5554
 westpa/core/kinetics/events.py,sha256=VqYBN5rVOf3hAYUA6xQ6UN7GP6tVgRFIoP69tfGhkTo,6511
 westpa/core/kinetics/__init__.py,sha256=djtiki7X5-IEzwjwswbdgrolwUIzVAHKxCiI5B3WH28,510
-westpa/core/kinetics/_kinetics.cpython-311-darwin.so,sha256=bR5LamkSsDzWpBjVECzrPlc1ZBHrV_ML-VvnyX4FT6Q,387512
+westpa/core/kinetics/_kinetics.cpython-311-darwin.so,sha256=pY8XITycgjA-tA9EZ9VS9GvSRLnL0ntTqsfjba6d8a8,387512
 westpa/core/kinetics/rate_averaging.py,sha256=gIKDXBAOSDI6KythepoC4QipUPksTRBc9zbM7DRtwo4,10300
 westpa/core/binning/binless_driver.py,sha256=T5qWpLnjxCS9RdKeWf7eVCC_s6TQFDENL7X3VG6JIYo,2231
 westpa/core/binning/mab_driver.py,sha256=azSqc9pqHk_zc1ptGNjXARDbK-UAnPVmCiYwebi5mPY,2223
-westpa/core/binning/_assign.cpython-311-darwin.so,sha256=Yv7lYh6by5Fl0snIhrYtNirzP_OFeNzcfCvsjaFgY4c,264480
+westpa/core/binning/_assign.cpython-311-darwin.so,sha256=W-tc8fTncvcN1YvVjb2h_KG3TZMJs_62csr19qJEijg,264480
 westpa/core/binning/binless.py,sha256=Fb9TI5swQntzXjmlWFbYQ9yjzjLxDKNVVdmRxRqOnIY,4056
 westpa/core/binning/__init__.py,sha256=XmjBP6fg_id_vDELkcWW3u2GeuL5OPWblvX-kc7mINk,1297
 westpa/core/binning/mab_manager.py,sha256=-bb9CdSXrx6XV8NWHa6Q1CTWVaGa4coAZn_lDlvHCkM,9815
@@ -64,7 +64,7 @@ westpa/core/binning/mab.py,sha256=X7L1jx--nNJTNA-PeJGDpwSa2PDMoMb4OtLpjffXQ4A,16
 westpa/core/binning/bins.py,sha256=WDj7DNX3MTVkRvkgAooa9G8VThxw32uIfMTuk9sS194,1460
 westpa/core/reweight/matrix.py,sha256=219sRxkML1V9niPIndSoRvJAC0fUmpG0PLDKpmfWW-g,5509
 westpa/core/reweight/__init__.py,sha256=8goYojsHMcJCZblBC2sc2fcj-NUNVEstbSLswKNlVfg,284
-westpa/core/reweight/_reweight.cpython-311-darwin.so,sha256=Rc3ETz8Ja06s1O-4qVQ9nCairrv94xpyBYiPNYGuaaI,303264
+westpa/core/reweight/_reweight.cpython-311-darwin.so,sha256=vx_WN-ID46Bs1tyF4NZ5CWHliwM5tTdBI9jXZUL2wXU,303264
 westpa/core/propagators/__init__.py,sha256=rx_kkeg3Tbb_rI0uhLGCD3OwSYj9QuhxF8QGN3mILrg,2373
 westpa/core/propagators/executable.py,sha256=6YuNMZ7if4jGtZ2OV0k_7jmBvtHFfdaIX-LLQJ_KIc8,32201
 westpa/analysis/__init__.py,sha256=CcmVPCB9OSEib0mJ4U-s9v3nrj4h-T_9AGApAbPnn8I,268
@@ -73,7 +73,7 @@ westpa/analysis/statistics.py,sha256=M3Gj1bOiAu_SA4upR7gENYEOP2gnIEaSOZeGyoIxAc8
 westpa/analysis/trajectories.py,sha256=jyrbbKOVyZ3GjHQushDS_G8C4IRXlUmxa-WzmEEVGwc,12878
 westpa/mclib/__init__.py,sha256=NskP81wKw-tHTniyJ8QbgKAHah5JdpCrnPKJo1T-nLw,11513
 westpa/mclib/__main__.py,sha256=cKqfE9koMcrHkslEPpFISA4Eblwl0mllaxn7pFeyX1A,881
-westpa/mclib/_mclib.cpython-311-darwin.so,sha256=i0EPM8vloPwBFYJxnREC2xVGo_O7Mo_HBDgWRorrqYc,246144
+westpa/mclib/_mclib.cpython-311-darwin.so,sha256=2X97cU0ZN3L63HW27Ha2d1Jd8w2MKdRm1l9n8mTFtEw,246144
 westpa/cli/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 westpa/cli/tools/w_direct.py,sha256=5Z9eQpvpKM-40XdiI0L3t0O3jpjMx7tk8ndYAaJxvrc,22361
 westpa/cli/tools/w_dumpsegs.py,sha256=uv0WxvKGauyW6VT3zGyALUXVqSXwDrhwbF3ZVSJV9Mo,3952
@@ -107,7 +107,7 @@ westpa/cli/core/w_init.py,sha256=V_CvlAuq8flg-zUO01sbMGYkLqrEDD4DU9sV90bYFus,879
 westpa/cli/core/w_succ.py,sha256=ZK1MHHu7t53VdBrRgJUe7b1R8DnhMKPjHOqbbOjC_As,3074
 westpa/trajtree/__init__.py,sha256=K64Ok5bUP-fXo1H2rigJqxCnm-U23tJlRngNOnzR3gs,96
 westpa/trajtree/trajtree.py,sha256=sLf4kTi0QyvFdbSR__YcPwOR2wcOxtlkC4IPUFcq-9M,4497
-westpa/trajtree/_trajtree.cpython-311-darwin.so,sha256=L3zfWXIZDjNu2bkKR2m8JeFkHzA1lxDAyOwxlnGP0H4,131000
+westpa/trajtree/_trajtree.cpython-311-darwin.so,sha256=6gDd_uxe9JYOUfSpLCYCeQ3pkfXAahplN_lkRxEnfPg,131000
 westpa/oldtools/files.py,sha256=JmLtZqxD88cybEHcOU6kodAeOJYxylpYFl4OQqU13Hs,944
 westpa/oldtools/miscfn.py,sha256=595W28JazmiU9ioDgOKU9ZxtXJue_q-8WcpOKTgkikQ,909
 westpa/oldtools/__init__.py,sha256=rxAxsQNQMADy5j8xrqW_7Vk3D9ajM7lfDjHaKQHRDTI,62
@@ -141,10 +141,10 @@ westpa/work_managers/zeromq/__init__.py,sha256=rrl4YbEaZr2AiEBTMlhvEFH83dBlAwWR_
 westpa/work_managers/zeromq/core.py,sha256=K3Iyrz5u2Dy-GgZFL3ZXDN2iaaLm7qL-A3cm4PdBiF8,22907
 westpa/work_managers/zeromq/work_manager.py,sha256=UB_WvnejDRVi1ZU2QWpP9uzhnccOH7b3qHgU-wSstTY,22425
 westpa/work_managers/zeromq/node.py,sha256=CeoJhXVqrZxrV3lMnDtm3LNkGFxjS4dr3E6wd7ZQRTE,4877
-westpa-2022.9.dist-info/RECORD,,
-westpa-2022.9.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
-westpa-2022.9.dist-info/AUTHORS,sha256=YMi91-Fs-vFgZKUaItfh20uXthT9oe2Kq6CQXmqMGqg,671
-westpa-2022.9.dist-info/WHEEL,sha256=3Ij8bI-sb8yCMxXItr4MLlNoRGZb2WoUxQe9xIFR_DQ,111
-westpa-2022.9.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
-westpa-2022.9.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
-westpa-2022.9.dist-info/METADATA,sha256=rqV52tmwSCbCr7PszXjXvfBm-by3neUyWB1QCZViw-4,7562
+westpa-2022.10.dist-info/RECORD,,
+westpa-2022.10.dist-info/LICENSE,sha256=I2wUldIRJmflTYUxmSiITSZEKvlovlMPrE3JU5IslkY,1074
+westpa-2022.10.dist-info/AUTHORS,sha256=YMi91-Fs-vFgZKUaItfh20uXthT9oe2Kq6CQXmqMGqg,671
+westpa-2022.10.dist-info/WHEEL,sha256=3Ij8bI-sb8yCMxXItr4MLlNoRGZb2WoUxQe9xIFR_DQ,111
+westpa-2022.10.dist-info/entry_points.txt,sha256=0Ym8meKTdYbUEMtUHF_4zaZP__4ldfFnoYXyYlKRB6s,1428
+westpa-2022.10.dist-info/top_level.txt,sha256=otaLnQtwo9jKCJmja4iOOsOVDThUvPfjJaeLrgGEhlE,7
+westpa-2022.10.dist-info/METADATA,sha256=17fr3iDNghuqnwUeEVWPaoG_OF-pta25C9bYblf8UiU,7563