87 lines
2.3 KiB
Python
87 lines
2.3 KiB
Python
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# coding: utf-8
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"""
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Module misc
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===========
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"""
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import logging
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from pint import UnitRegistry
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import numpy as np
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import inspect
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import re
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class XRaySource(object):
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MG_KALPHA = 1253.6
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AL_KALPHA = 1486.6
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def __init__(self):
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pass
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UREG = UnitRegistry()
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UREG.define('rydberg = c * h * rydberg_constant = Ry')
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UREG.define('bohr_radius = 4 * pi * epsilon_0 * hbar**2 / electron_mass / e**2 = a0')
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logging.basicConfig(level=logging.INFO)
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LOGGER = logging.getLogger('msspec')
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np.set_printoptions(formatter={'float': lambda x:'%.2f' % x}, threshold=5)
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def set_log_level(level):
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lvl = getattr(logging, level.upper())
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LOGGER.setLevel(lvl)
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def set_log_output(stream):
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LOGGER.parent.handlers[0].stream = stream
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def get_call_info(frame):
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args, varargs, varkw, loc = inspect.getargvalues(frame)
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_, _, function, _, _ = inspect.getframeinfo(frame)
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s = '%s called with:\n' % function
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for kws in (args, varargs, varkw):
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if kws != None:
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if isinstance(kws, (tuple, list)):
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for kw in kws:
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s += '\t\t%s = %r\n' % (kw, loc[kw])
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else:
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s += '\t\t%s = %r\n' % (kws, loc[kws])
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return s.strip()
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def log_process_output(process, logger=None, severity=logging.INFO):
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if logger == None:
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logger = logging
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else:
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logger = logging.getLogger(logger)
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logger.setLevel(LOGGER.getEffectiveLevel())
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for line in iter(process.stdout.readline, b''):
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logger.log(severity, line.rstrip('\n'))
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process.stdout.close()
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process.wait()
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def get_level_from_electron_configuration(notation):
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l_letters = 'spdfghiklmnoqrtuv'
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n_letters = 'klmnopqrstuv'
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pattern = re.compile(r'(?P<n>\d+)(?P<l>[%s%s])'
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r'((?P<j>\d)/2)?' % (l_letters, l_letters.upper()))
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m = pattern.match(notation)
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assert m, 'Not a valid notation'
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n, l, _, j = m.groups()
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n = int(n)
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l = l_letters.index(l.lower())
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assert (l < n), 'Invalid l'
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j1 = abs(l - 0.5)
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j2 = abs(l + 0.5)
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if j:
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j = int(j) / 2.
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else:
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j = j1
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assert j in (j1, j2), 'Invalid j'
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letter = n_letters[n - 1]
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subscript = str(int((2 * (l + j) + 1) / 2))
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if letter == 'k':
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subscript = ''
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return '{}{}'.format(letter, subscript)
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