simulate.py 文件源码

python
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项目:picasso 作者: jungmannlab 项目源码 文件源码
def readStructure(self):
        structurexxtxt = _np.asarray((self.structurexxEdit.text()).split(","))
        structureyytxt = _np.asarray((self.structureyyEdit.text()).split(","))
        structureextxt = _np.asarray((self.structureexEdit.text()).split(","))
        structure3dtxt = _np.asarray((self.structure3DEdit.text()).split(","))

        structurexx = []
        structureyy = []
        structureex = []
        structure3d = []

        for element in structurexxtxt:
            try:
                structurexx.append(float(element))
            except ValueError:
                pass
        for element in structureyytxt:
            try:
                structureyy.append(float(element))
            except ValueError:
                pass
        for element in structureextxt:
            try:
                structureex.append(int(element))
            except ValueError:
                pass

        for element in structure3dtxt:
            try:
                structure3d.append(float(element))
            except ValueError:
                pass

        minlen = min(len(structureex), len(structurexx), len(structureyy), len(structure3d))

        structurexx = structurexx[0:minlen]
        structureyy = structureyy[0:minlen]
        structureex = structureex[0:minlen]
        structure3d = structure3d[0:minlen]

        return structurexx, structureyy, structureex, structure3d
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