本文整理汇总了Python中pylada.vasp.Vasp.algo方法的典型用法代码示例。如果您正苦于以下问题：Python Vasp.algo方法的具体用法？Python Vasp.algo怎么用？Python Vasp.algo使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类pylada.vasp.Vasp的用法示例。
在下文中一共展示了Vasp.algo方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: test_algo_keyword
# 需要导入模块: from pylada.vasp import Vasp [as 别名]
# 或者: from pylada.vasp.Vasp import algo [as 别名]
def test_algo_keyword():
from pickle import loads, dumps
from pylada.vasp import Vasp
import pylada
pylada.is_vasp_4 = True
a = Vasp()
# default.
assert a.algo == 'Fast'
# wrong argument.
try:
a.algo = 0
except:
pass
else:
raise RuntimeError()
try:
a.algo = "WTF"
except:
pass
else:
raise RuntimeError()
# possible inputs and some.
d = {
'Very_Fast': ['very fast', 'VERY-fAst', 'very_FAST', 'v'],
'VeryFast': ['very fast', 'VERY-fAst', 'very_FAST', 'v'],
'Fast': ['fast', 'f'],
'Normal': ['normal', 'n'],
'Damped': ['damped', 'd'],
'Diag': ['diag'],
'All': ['all', 'a'],
'None': ['none'],
'Nothing': ['nothing'],
'chi': ['chi'],
'GW': ['gw'],
'GW0': ['gw0'],
'scGW': ['scgw'],
'scGW0': ['scgw0'],
'Conjugate': ['conjugate', 'c'],
'Subrot': ['subrot', 's'],
'Eigenval': ['eigenval', 'e']
}
vasp5 = 'Subrot', 'chi', 'GW', 'GW0', 'scGW', 'scGW0', 'Conjugate', 'Eigenval', 'Exact', 'Nothing'
dictionary = {'Algo': a._input['algo'].__class__}
for isvasp4 in [True, False]:
pylada.is_vasp_4 = isvasp4
for key, items in d.items():
for value in items:
if key in vasp5 and isvasp4:
try:
a.algo = value
except:
pass
else:
raise RuntimeError((value, key))
continue
a.algo = value
o = a._input['algo']
if key == 'VeryFast' and isvasp4:
assert a.algo == 'Very_Fast'
assert o.output_map()['algo'] == 'Very_Fast'
assert loads(dumps(o)).output_map()["algo"] == 'Very_Fast'
assert eval(repr(o), dictionary).output_map()["algo"] == 'Very_Fast'
elif key == 'Very_Fast' and not isvasp4:
assert a.algo == 'VeryFast'
assert o.output_map()['algo'] == 'VeryFast'
assert loads(dumps(o)).output_map()["algo"] == 'VeryFast'
assert eval(repr(o), dictionary).output_map()["algo"] == 'VeryFast'
else:
assert a.algo == key
assert o.output_map()['algo'] == key
assert loads(dumps(o)).output_map()["algo"] == key
assert eval(repr(o), dictionary).output_map()["algo"] == key
a.algo = None
assert a.algo is None
assert o.output_map() is None
assert loads(dumps(o)).output_map() is None
assert eval(repr(o), dictionary).output_map() is None