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Merge pull request #81 from uwbmrb/v2-dev
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V2 dev
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jonwedell authored Mar 13, 2020
2 parents 16f93e6 + 315129a commit c846256
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2 changes: 1 addition & 1 deletion reference_files/data_types.csv
Original file line number Diff line number Diff line change
Expand Up @@ -2,7 +2,7 @@ any,.*,A catch all for items that may take any form...
atcode,"[\[\] _(),.;:""&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*",Character data type for atom names ...
binary,"\n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:""&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION----","binary items are presented as MIME-like ascii-encoded sections in an imgCIF. In a CBF, raw octet streams are used to convey the same information."
code,"[_,.;:""&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*",code item types/single words ...
email,"(?:[a-z0-9!#$%&'*+/=?^_`{|}~-]+(?:\.[a-z0-9!#$%&'*+/=?^_`{|}~-]+)*|""(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21\x23-\x5b\x5d-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])*"")@(?:(?:[a-z0-9](?:[a-z0-9-]*[a-z0-9])?\.)+[a-z0-9](?:[a-z0-9-]*[a-z0-9])?|\[(?:(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9]))\.){3}(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9])|[a-z0-9-]*[a-z0-9]:(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21-\x5a\x53-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])+)\])?",code item types/single words (case insensitive) ...
email,"(?:[a-zA-Z0-9!#$%&'*+/=?^_`{|}~-]+(?:\.[a-z0-9!#$%&'*+/=?^_`{|}~-]+)*|""(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21\x23-\x5b\x5d-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])*"")@(?:(?:[a-z0-9](?:[a-z0-9-]*[a-z0-9])?\.)+[a-z0-9](?:[a-z0-9-]*[a-z0-9])?|\[(?:(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9]))\.){3}(?:(2(5[0-5]|[0-4][0-9])|1[0-9][0-9]|[1-9]?[0-9])|[a-z0-9-]*[a-z0-9]:(?:[\x01-\x08\x0b\x0c\x0e-\x1f\x21-\x5a\x53-\x7f]|\\[\x01-\x09\x0b\x0c\x0e-\x7f])+)\])?",An email address
fax,\+?[0-9A-Za-z.()\s\-/]*,code item types/single words (case insensitive) ...
float,(?:-?[0-9]*\.?[0-9]+(?:[eE][-+]?[0-9]+)?)?,int item types are the subset of numbers that are the floating numbers.
float-range,-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?,int item types are the subset of numbers that are the floating numbers.
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9 changes: 7 additions & 2 deletions setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,11 @@
extra_compile_args=["-funroll-loops", "-O3"],
optional=True)

try:
long_description = open('README.md', 'r').read()
except IOError:
long_description = open('pynmrstar/README.md', 'r').read()

setup(name='pynmrstar',
version=__version__,
packages=['pynmrstar'],
Expand All @@ -18,11 +23,11 @@
author_email='[email protected]',
description='PyNMR-STAR provides tools for reading, writing, modifying, and interacting with NMR-STAR files. '
'Maintained by the BMRB.',
long_description=open('README.md', 'r').read(),
long_description=long_description,
long_description_content_type='text/markdown',
keywords=['bmrb', 'parser', 'nmr', 'nmrstar', 'biomagresbank', 'biological magnetic resonance bank'],
url='https://github.com/uwbmrb/PyNMRSTAR',
license='GPL',
license='MIT',
package_data={
'pynmrstar': ['reference_files/schema.csv', 'reference_files/comments.str', 'reference_files/data_types.csv',
'.nocompile', 'README.md']},
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