def __markdown(informations: _Dict[int, ErrorInfo]) -> str:
"""制作 markdown 格式的表格"""
content_list = list()
informations = _ODict(sorted(informations.items()))
for key, value in informations.items():
content_list.append(__makeline(key, value))
return '\n'.join(content_list)
def __init__(self, *param_names):
self._store = _ODict()
self._paramnames = param_names
_vld.pass_if(
len(param_names) <= self._MAX_PARAMS, IndexError,
'There can be no more than {} custom parameters'.format(
self._MAX_PARAMS))
if self._paramnames:
# Declare a new ScriptParameters named tuple type and override its str() behavior
typename = self._get_typename(self._PARAM_CONST)
self._paramtuple = _ntuple(typename, field_names=param_names)
self._paramtuple.__str__ = lambda x: repr(x).replace(
typename, _const.CHAR_EMPTY)
else:
# Use a regular tuple type if no parameter names have been set
self._paramtuple = tuple
def saveConfig():
"""Write config and PSE to json-file"""
with open(_expanduser('~/.vipster.json'), 'w') as f:
_dump(_ODict([('PSE', pse), ('General', config),
('Parameters', _paramdict)]), f, indent=2)
# -*- coding: utf-8 -*-
from copy import deepcopy as _deepcopy
from collections import OrderedDict as _ODict
from importlib import import_module as _import
from os import remove
from shutil import move
from vipster.settings import _paramdict
_formats = ["xyz", "pwInput", "pwOutput", "lammpsData", "lammpsCustom", "cube",
"empire", "aimall", "cpmd", "turbomole", "xsf", "mol2"]
_plugins = []
for i in _formats:
_plugins.append(_import(".ioplugins." + i, package="vipster"))
_indict = _ODict([(i.argument, i.parser) for i in _plugins])
_outdict = _ODict([(i.argument, i.writer) for i in _plugins if i.writer])
_guiInNames = _ODict([(i.name, i.argument) for i in _plugins])
_guiOutNames = _ODict([(i.name, i.argument) for i in _plugins if i.writer])
_defaultParams = _ODict([(i.argument, i.param) for i in _plugins if i.param])
for i in _defaultParams:
for j in _defaultParams[i]:
if j not in _paramdict[i]:
_paramdict[i][j] = _defaultParams[i][j]
inFormats = _indict.keys()
outFormats = _outdict.keys()
def readFile(filename, fmt):
"""
Read and parse a given file