import load_path
from mordred import _atomic_property as prop
load_path.nop()
print("""
.. _atomic_properties:
atomic properties
=================
"""[1:])
for v in prop.getter_list:
print(v.short)
print(" " * 4 + v.long)
import load_path
from mordred import all_descriptors
from mordred._base.descriptor import is_descriptor_class
from itertools import chain
import sys
load_path.nop()
class Generator(object):
def __init__(self, mdl):
self.mdl = mdl
def header(self):
h = self.mdl.__name__ + ' module'
yield h
yield '=' * len(h)
yield ''
def descriptor(self, desc):
excludes = set([
'as_argument', 'calculate', 'coord', 'dependencies', 'fail',
'is_descriptor_class', 'mol', 'parameters', 'preset',
'rethrow_na', 'rethrow_zerodiv'
])
docs = [m for m in dir(desc) if m[:1] != '_' if m not in excludes]
yield '.. autoclass:: {}.{}'.format(self.mdl.__name__, desc.__name__)
yield ' :members: {}'.format(', '.join(docs))
yield ' :undoc-members:'
yield ' :show-inheritance:'