本文整理汇总了Python中commopy.Cabinet.conv_lines2array方法的典型用法代码示例。如果您正苦于以下问题：Python Cabinet.conv_lines2array方法的具体用法？Python Cabinet.conv_lines2array怎么用？Python Cabinet.conv_lines2array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commopy.Cabinet的用法示例。
在下文中一共展示了Cabinet.conv_lines2array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: __init__
# 需要导入模块: from commopy import Cabinet [as 别名]
# 或者: from commopy.Cabinet import conv_lines2array [as 别名]
def __init__(self, poscar='POSCAR'):
if type(poscar) is str:
try:
poscar_lines = Cabinet.read_file(poscar)
except IOError:
print("error: vaspy.Poscar could not "
"find '{0}' file !!!".format(poscar))
exit()
elif type(poscar) is list:
poscar_lines = poscar
elif poscar is None:
print("POSCAR was not read !!! (Template POSCAR is loaded !!!)")
poscar = os.path.join(MODULE_DIR,
'../sorce/originalsVASP', 'poscar')
poscar_lines = Cabinet.read_file(poscar)
self.poscar_title = poscar_lines[0]
self.cell_scale = float(poscar_lines[1])
self.cell_lattices = Cabinet.conv_lines2array(poscar_lines[2:5])
# self.cell_latticesはarrayとして読み込む
if poscar_lines[5].split()[0].isdigit(): # vasp4
self.elements = None
self.num_atoms = [int(x) for x in poscar_lines[5].split()]
i = sum(self.num_atoms)
self.cell_sites = Cabinet.conv_lines2array(poscar_lines[7:7+i])
self.vasp_version = 4
else:
self.elements = poscar_lines[5].split() # vasp5
self.num_atoms = [int(x) for x in poscar_lines[6].split()]
i = sum(self.num_atoms)
self.cell_sites = Cabinet.conv_lines2array(poscar_lines[8:8+i])
self.vasp_version = 5