ncrystal-python 3.9.81__py3-none-any.whl

NCrystal/__init__.py

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+
+################################################################################
+##                                                                            ##
+##  This file is part of NCrystal (see https://mctools.github.io/ncrystal/)   ##
+##                                                                            ##
+##  Copyright 2015-2024 NCrystal developers                                   ##
+##                                                                            ##
+##  Licensed under the Apache License, Version 2.0 (the "License");           ##
+##  you may not use this file except in compliance with the License.          ##
+##  You may obtain a copy of the License at                                   ##
+##                                                                            ##
+##      http://www.apache.org/licenses/LICENSE-2.0                            ##
+##                                                                            ##
+##  Unless required by applicable law or agreed to in writing, software       ##
+##  distributed under the License is distributed on an "AS IS" BASIS,         ##
+##  WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.  ##
+##  See the License for the specific language governing permissions and       ##
+##  limitations under the License.                                            ##
+##                                                                            ##
+################################################################################
+
+"""
+
+Python module for using the NCrystal library for thermal neutron transport in
+crystals and other materials.
+
+Please find more information about NCrystal at the website:
+
+   https://mctools.github.io/ncrystal/
+
+In particular, a small example using the NCrystal python module can be found at:
+
+   https://github.com/mctools/ncrystal/blob/master/examples/ncrystal_example_py
+
+A substantial effort went into developing NCrystal. If you use it for your work,
+we would appreciate it if you would use the following reference in your work:
+
+  X.-X. Cai and T. Kittelmann, NCrystal: A library for thermal neutron
+  transport, Computer Physics Communications 246 (2020) 106851,
+  https://doi.org/10.1016/j.cpc.2019.07.015
+
+For work benefitting from our inelastic physics, we furthermore request that you
+additionally also use the following reference in your work:
+
+  X.-X. Cai, T. Kittelmann, et. al., "Rejection-based sampling of inelastic
+  neutron scattering", Journal of Computational Physics 380 (2019) 400-407,
+  https://doi.org/10.1016/j.jcp.2018.11.043
+
+For detailed usage conditions and licensing of this open source project, see:
+
+   https://github.com/mctools/ncrystal/blob/master/NOTICE
+   https://github.com/mctools/ncrystal/blob/master/LICENSE
+
+"""
+
+#NB: Synchronize meta-data below with fields in setup.py+template_setup.py.in meta data:
+__license__ = "Apache 2.0, http://www.apache.org/licenses/LICENSE-2.0"
+__version__ = '3.9.81'
+__status__ = "Production"
+__author__ = "NCrystal developers (Thomas Kittelmann, Xiao Xiao Cai)"
+__copyright__ = "Copyright 2015-2024 %s"%__author__
+__maintainer__ = __author__
+__email__ = "ncrystal-developers@cern.ch"
+
+import sys as _sys
+import os as _os
+
+#Place f-string here to catch python <3.6 in a more obvious way than a syntax error below:
+f'NCrystal does not work with Python2 (or Python3 < v3.8)' #noqa F541
+_minpyversion=(3,8,0)
+
+pyversion = _sys.version_info[0:3]
+if pyversion < _minpyversion:
+    raise RuntimeError('Unsupported python version %i.%i.%i detected (needs %i.%i.%i or later).'%(pyversion+_minpyversion))
+
+#NB: The following env var can NOT be namespaced. E.g. it will always be
+#NCRYSTAL_SLIMPYINIT and never e.g. NCRYSTAL<namespacehere>_SLIMPYINIT:
+
+if not _os.environ.get('NCRYSTAL_SLIMPYINIT'):
+    from .api import * # noqa F403
+
+###################################
+#Same as NCRYSTAL_VERSION macro (same as the get_version_num() function from .core):
+version_tuple = tuple( int(i) for i in __version__.split('.') )#introduced in release 3.6.0
+version_num = sum(int(i)*j for i,j in zip(version_tuple,(1000000,1000,1)))#Introduced in release 0.9.1

NCrystal/__main__.py

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+
+################################################################################
+##                                                                            ##
+##  This file is part of NCrystal (see https://mctools.github.io/ncrystal/)   ##
+##                                                                            ##
+##  Copyright 2015-2024 NCrystal developers                                   ##
+##                                                                            ##
+##  Licensed under the Apache License, Version 2.0 (the "License");           ##
+##  you may not use this file except in compliance with the License.          ##
+##  You may obtain a copy of the License at                                   ##
+##                                                                            ##
+##      http://www.apache.org/licenses/LICENSE-2.0                            ##
+##                                                                            ##
+##  Unless required by applicable law or agreed to in writing, software       ##
+##  distributed under the License is distributed on an "AS IS" BASIS,         ##
+##  WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.  ##
+##  See the License for the specific language governing permissions and       ##
+##  limitations under the License.                                            ##
+##                                                                            ##
+################################################################################
+
+"""
+
+This __main__.py module is here to ensure that NCrystal commandline script
+can be accessed even when not terminal scripts (entry points) are
+installed. This is for instance done via:
+
+$> python3 -mNCrystal nctool <args>
+$> python3 -mNCrystal ncmat2cpp <args>
+$> python3 -mNCrystal ncrystal_ncmat2cpp <args>
+
+Note that the two last commands above run the same command line script.
+
+"""
+
+def _print_usage():
+    from ._common import print
+    from .cli import cli_tool_list
+    import textwrap
+    usagestr = textwrap.dedent("""
+    Usage: provide name and arguments of NCrystal commandline-tool to run.
+
+    Available tools:
+
+    <<TOOLLIST>>
+    Specifying -h or --help displays this message.""").lstrip()
+    toolliststr = ''.join( f'       {t}\n' for t
+                           in cli_tool_list( canonical_names = False ))
+    print(usagestr.replace('<<TOOLLIST>>',toolliststr))
+
+def _prepare():
+    import sys
+    from ._cliimpl import _resolve_cmd_and_import_climod as _resolve
+
+    args = sys.argv[1:]
+
+    initial_optargs = []
+    for a in args:
+        if a.startswith('-'):
+            initial_optargs.append(a)
+        else:
+            break
+    args = args[len(initial_optargs):]
+
+    is_help_req = False
+    opt_unblock = False
+    bad_usage = False
+    for a in initial_optargs:
+        if a in ('-h','--help','/?'):
+            is_help_req = True
+        elif a == '--unblock':
+            opt_unblock = True
+        else:
+            bad_usage = True
+
+    if is_help_req or bad_usage or not args:
+        _print_usage()
+        raise SystemExit(0 if is_help_req else 1)
+
+    return _resolve( args[0], args[1:] ), opt_unblock
+
+def main():
+    try:
+        (climod, argv), opt_unblock = _prepare()
+    except RuntimeError as e:
+        from ._common import print
+        _print_usage()
+        print()
+        raise SystemExit(f'ERROR: {e}')
+    if opt_unblock:
+        #Run like in pyapi (in particular letting all exceptions escape):
+        from .cli import run
+        run( *argv )
+    else:
+        climod.main( argv )
+
+if __name__ == '__main__':
+    main()