pyEQL 0.15.1__py2.py3-none-any.whl → 1.0.1__py2.py3-none-any.whl

pyEQL/utils.py

@@ -6,6 +6,7 @@ pyEQL utilities
 
 """
 
+import logging
 from collections import UserDict
 from functools import lru_cache
 
@@ -14,6 +15,8 @@ from pymatgen.core.ion import Ion
 
 from pyEQL import ureg
 
+logger = logging.getLogger(__name__)
+
 
 def interpret_units(unit: str) -> str:
     """

{pyEQL-0.15.1.dist-info → pyEQL-1.0.1.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: pyEQL
-Version: 0.15.1
+Version: 1.0.1
 Summary: Python tools for solution chemistry
 Home-page: https://github.com/KingsburyLab/pyEQL
 Author: Ryan Kingsbury
@@ -19,12 +19,12 @@ License-File: LICENSE.txt
 License-File: COPYING
 License-File: AUTHORS.md
 Requires-Dist: pint >=0.19
-Requires-Dist: numpy
+Requires-Dist: numpy <2
 Requires-Dist: scipy
-Requires-Dist: pymatgen >=2023.10.11
+Requires-Dist: pymatgen ==2024.5.1
 Requires-Dist: iapws
 Requires-Dist: monty
-Requires-Dist: maggma >=0.57.5
+Requires-Dist: maggma >=0.67.0
 Requires-Dist: phreeqpython
 Provides-Extra: docs
 Requires-Dist: sphinx >=3.2.1 ; extra == 'docs'
@@ -37,6 +37,7 @@ Requires-Dist: setuptools ; extra == 'testing'
 Requires-Dist: pre-commit ; extra == 'testing'
 Requires-Dist: pytest ; extra == 'testing'
 Requires-Dist: pytest-cov ; extra == 'testing'
+Requires-Dist: pytest-xdist ; extra == 'testing'
 Requires-Dist: black ; extra == 'testing'
 Requires-Dist: mypy ; extra == 'testing'
 Requires-Dist: ruff ; extra == 'testing'
@@ -50,11 +51,9 @@ Requires-Dist: tox <4 ; extra == 'testing'
 [![PyPI version](https://badge.fury.io/py/pyEQL.svg)](https://badge.fury.io/py/pyEQL)
 [![status](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6/status.svg)](https://joss.theoj.org/papers/bdd9e247ea9736a0fdbbd5fe12bef7a6)
 
+<img src="pyeql-logo.png" alt="pyEQL logo" style="width:600px;"/>
 
-![pyeql logo](pyeql-logo.svg)
-
-A python interface for water chemistry
-
+# A python interface for water chemistry
 
 ## Description
 
@@ -122,8 +121,8 @@ Detailed documentation is available at [https://pyeql.readthedocs.io/](https://p
 - [maggma](https://materialsproject.github.io/maggma/) - interface for accessing the property database
 - [scipy](https://www.scipy.org/) - for certain nonlinear equation solvers
 
-<!-- pyscaffold-notes -->
----
+## <!-- pyscaffold-notes -->
+
 pyEQL is licensed under LGPL.
 
 This project has been set up using PyScaffold 4.5. For details and usage

pyEQL-1.0.1.dist-info/RECORD

@@ -0,0 +1,27 @@
+pyEQL/__init__.py,sha256=JErflmaJVP373dm3-YGHUomFu05dgX0iXWS-Z5AgSTU,2118
+pyEQL/activity_correction.py,sha256=eOixjgTd5hTrTRD5s6aPCCG12lAIH7-lRN0Z1qHu678,37151
+pyEQL/engines.py,sha256=ma4KhCmW2XR4FNebQBa2vTkKygRH8l40rnsSTmqTECQ,34915
+pyEQL/equilibrium.py,sha256=YCtoAJSgn1WC9NJnc3H4FTJdKQvogsvCuj7HqlKMtww,8307
+pyEQL/functions.py,sha256=nc-Hc61MmW-ELBR1PByJvQnELxM7PZexMHbU_O5-Bnw,10584
+pyEQL/pint_custom_units.txt,sha256=XHmcMlwVvqF9nEW7_e9Xgyq-xWEr-cDYqieas11T3eY,2882
+pyEQL/salt_ion_match.py,sha256=D4HJdV7iVsBEW5bW9tWpvc6pK-jrexTlvJV80YabHo4,4062
+pyEQL/solute.py,sha256=R4XjPiAZP2787ImIo072CWD1vjIYjGPt6zvxCrVO1pA,5133
+pyEQL/solution.py,sha256=PogXcBn3vPaK5EZy742-tW6om_kmrkitF7U7NeMj37g,115889
+pyEQL/utils.py,sha256=2VLl_sqcKcqBrVdP0ogtIYsOlc-wl4repi43Jqr-8yg,4156
+pyEQL/database/geothermal.dat,sha256=kksnfcBtWdOTpNn4CLXU1Mz16cwas2WuVKpuMU8CaVI,234230
+pyEQL/database/llnl.dat,sha256=jN-a0kfUFbQlYMn2shTVRg1JX_ZhLa-tJ0lLw2YSpLU,751462
+pyEQL/database/phreeqc_license.txt,sha256=8W1r8VxC2kVptIMSU9sDFNASYqN7MdwKEtIWWfjTQuM,2906
+pyEQL/database/pyeql_db.json,sha256=TQKKofds7QBNd-Hw5QQuPwP6rQ8YWh_hHlRAtoQX0m8,1080793
+pyEQL/presets/Ringers lactate.yaml,sha256=vtSnuvgALHR27XEjpDzC0xyw5-E6b2FSsF1EUEBiWpw,413
+pyEQL/presets/normal saline.yaml,sha256=i2znhnIeXfNx1iMFFSif7crMRCFRP6xN1m7Wp7USduM,318
+pyEQL/presets/rainwater.yaml,sha256=S0WHZNDfCJyjSSFxNFdkypjn2s3P0jJGCiYIxvi1ibA,337
+pyEQL/presets/seawater.yaml,sha256=oryc1CkhRz20RpWE6uiGiT93HoZnqlB0s-0PmBWr3-U,843
+pyEQL/presets/urine.yaml,sha256=0Njtc-H1fFRo7UhquHdiSTT4z-8VZJ1utDCk02qk28M,679
+pyEQL/presets/wastewater.yaml,sha256=jTTFBpmKxczaEtkCZb0xUULIPZt7wfC8eAJ6rthGnmw,502
+pyEQL-1.0.1.dist-info/AUTHORS.md,sha256=K9ZLhKFwZ2zLlFXwN62VuUYCpr5T6n4mOUCUHlytTUs,415
+pyEQL-1.0.1.dist-info/COPYING,sha256=Ww2oUywfFTn242v9ksCgQdIVSpcMXJiKKePn0GFm25E,7649
+pyEQL-1.0.1.dist-info/LICENSE.txt,sha256=2Zf1F7RzbpeposgIxUydpurqNCMoMgDi2gAB65_GjwQ,969
+pyEQL-1.0.1.dist-info/METADATA,sha256=Nt-13evnZEXe5D0L8a-QrtIjwvYKo8cb2ew3UG2JwlQ,5889
+pyEQL-1.0.1.dist-info/WHEEL,sha256=DZajD4pwLWue70CAfc7YaxT1wLUciNBvN_TTcvXpltE,110
+pyEQL-1.0.1.dist-info/top_level.txt,sha256=QMOaZjCAm_lS4Njsjh4L0B5aWnJFGQMYKhuH88CG1co,6
+pyEQL-1.0.1.dist-info/RECORD,,

pyEQL/logging_system.py

@@ -1,78 +0,0 @@
-# logging system
-"""Create a logging system using Python's built-in module.
-
-Each module within pyEQL has its own logger, with a StreamHandler attached to it that
-directs formatted messages to standard output. This is intended to facilitate the use
-of pyEQL as an interactive console program, at the expense of some flexibility when
-using it as a true library in another application.
-
-The default logging levels are mapped to pyEQL events as follows:
-
-DEBUG       -   detailed messages about function execution including methods used, data sources,
-                temperature adjustments, etc.
-INFO        -   Messages indicating calculation steps, function calls, etc.
-WARNING     -   assumptions or limitations of module output
-ERROR       -   Module could not complete a task due to invalid input or other problem
-CRITICAL    -   not used
-
-:copyright: 2013-2024 by Ryan S. Kingsbury
-:license: LGPL, see LICENSE for more details.
-
-"""
-import logging
-
-# courtesy https://calmcode.io/logging/format.html
-
-logger = logging.getLogger(__name__)
-
-# the handler determines where the logs go: stdout/file
-handler = logging.StreamHandler()
-
-# the formatter determines what our logs will look like
-fmt = "%(levelname)s %(asctime)s %(filename)s %(funcName)s %(lineno)d %(message)s"
-formatter = logging.Formatter(fmt)
-handler.setFormatter(formatter)
-
-logger.addHandler(handler)
-# use rich for pretty log formatting, if installed
-try:
-    from rich.logging import RichHandler
-
-    logger.addHandler(RichHandler(rich_tracebacks=True))
-except ImportError:
-    pass
-
-logger.setLevel(logging.WARNING)
-
-
-# define a log filter to emit only unique log messages
-class Unique(logging.Filter):
-    """Messages are allowed through just once.
-    The 'message' includes substitutions, but is not formatted by the
-    handler. If it were, then practically all messages would be unique!
-    """
-
-    def __init__(self, name=""):
-        logging.Filter.__init__(self, name)
-        self.reset()
-
-    def reset(self):
-        """Act as if nothing has happened."""
-        self.__logged = {}
-
-    def filter(self, rec):
-        """logging.Filter.filter performs an extra filter on the name."""
-        return logging.Filter.filter(self, rec) and self.__is_first_time(rec)
-
-    def __is_first_time(self, rec):
-        """Emit a message only once."""
-        msg = rec.msg % (rec.args)
-        if msg in self.__logged:
-            self.__logged[msg] += 1
-            return False
-        self.__logged[msg] = 1
-        return True
-
-
-# add the filter to suppress duplicate messages
-logger.addFilter(Unique())

pyEQL-0.15.1.dist-info/RECORD

@@ -1,28 +0,0 @@
-pyEQL/__init__.py,sha256=bW3CxQ7Wi4uNIgPtsimLXvLln2N3WMGSvZxpTE-ireY,1963
-pyEQL/activity_correction.py,sha256=5zG6TofIx5xV0q_To3o6XZ1VLHvp5Q5vIxonqKu-7jg,37003
-pyEQL/engines.py,sha256=jn7tJKr_p2sEVcuz1F_QLwUqEHQkkhAqlbO59sMGjKo,33659
-pyEQL/equilibrium.py,sha256=Zwn-NstMXE-6X4zulcZ2z0Vk3GX8yoNKVN0hnRXud_Q,8281
-pyEQL/functions.py,sha256=nuyR6hrLQZfSkzOqDm6W6lgMxQpbKT6IRuAj-rPXsjk,16116
-pyEQL/logging_system.py,sha256=_41vA7tZOShWuAZK9SrEM_nsfQF4VyS_xEc0yIWNsDI,2579
-pyEQL/pint_custom_units.txt,sha256=XHmcMlwVvqF9nEW7_e9Xgyq-xWEr-cDYqieas11T3eY,2882
-pyEQL/salt_ion_match.py,sha256=sk5FsyEe6MgCrX0LvGIEKl7NO2kF--SHG39AVIxgzDY,4061
-pyEQL/solute.py,sha256=5kd0IRXA0sbwBAJNdJGuFGr2FmRs-QW4VFEa2fUKuIk,5080
-pyEQL/solution.py,sha256=Nh98LkfoFgrlLjEj4i6KXtb9G7kR6XOpYKdBiP-AFLU,132997
-pyEQL/utils.py,sha256=FKx3xHLAzA-rtSV0L2--fd9h_JubgeyKuXYGtwlh7Tg,4103
-pyEQL/database/geothermal.dat,sha256=kksnfcBtWdOTpNn4CLXU1Mz16cwas2WuVKpuMU8CaVI,234230
-pyEQL/database/llnl.dat,sha256=jN-a0kfUFbQlYMn2shTVRg1JX_ZhLa-tJ0lLw2YSpLU,751462
-pyEQL/database/phreeqc_license.txt,sha256=8W1r8VxC2kVptIMSU9sDFNASYqN7MdwKEtIWWfjTQuM,2906
-pyEQL/database/pyeql_db.json,sha256=TQKKofds7QBNd-Hw5QQuPwP6rQ8YWh_hHlRAtoQX0m8,1080793
-pyEQL/presets/Ringers lactate.yaml,sha256=vtSnuvgALHR27XEjpDzC0xyw5-E6b2FSsF1EUEBiWpw,413
-pyEQL/presets/normal saline.yaml,sha256=i2znhnIeXfNx1iMFFSif7crMRCFRP6xN1m7Wp7USduM,318
-pyEQL/presets/rainwater.yaml,sha256=S0WHZNDfCJyjSSFxNFdkypjn2s3P0jJGCiYIxvi1ibA,337
-pyEQL/presets/seawater.yaml,sha256=oryc1CkhRz20RpWE6uiGiT93HoZnqlB0s-0PmBWr3-U,843
-pyEQL/presets/urine.yaml,sha256=0Njtc-H1fFRo7UhquHdiSTT4z-8VZJ1utDCk02qk28M,679
-pyEQL/presets/wastewater.yaml,sha256=jTTFBpmKxczaEtkCZb0xUULIPZt7wfC8eAJ6rthGnmw,502
-pyEQL-0.15.1.dist-info/AUTHORS.md,sha256=K9ZLhKFwZ2zLlFXwN62VuUYCpr5T6n4mOUCUHlytTUs,415
-pyEQL-0.15.1.dist-info/COPYING,sha256=Ww2oUywfFTn242v9ksCgQdIVSpcMXJiKKePn0GFm25E,7649
-pyEQL-0.15.1.dist-info/LICENSE.txt,sha256=2Zf1F7RzbpeposgIxUydpurqNCMoMgDi2gAB65_GjwQ,969
-pyEQL-0.15.1.dist-info/METADATA,sha256=kgk693lXwqjzaaoKh4DcfhLrB5w14H4n1yPPsvwuhP4,5804
-pyEQL-0.15.1.dist-info/WHEEL,sha256=DZajD4pwLWue70CAfc7YaxT1wLUciNBvN_TTcvXpltE,110
-pyEQL-0.15.1.dist-info/top_level.txt,sha256=QMOaZjCAm_lS4Njsjh4L0B5aWnJFGQMYKhuH88CG1co,6
-pyEQL-0.15.1.dist-info/RECORD,,