我有一个粘贴在下面的python代码。它适用于我需要做的事情。您会注意到我加载了一个转储文件。如何遍历所有具有相同 *.dump 结束模式的转储文件,并让每个新文件只向输出文件添加一列新数据?基本上我想添加一个循环,这样我就不必为每个转储文件手动重新编写代码。from ovito.io import *from ovito.data import *from ovito.modifiers import *import numpy as npnode = import_file("../200eV.dump",multiple_frames = True)# Perform Wigner-Seitz analysis:ws = WignerSeitzAnalysisModifier( per_type_occupancies = True, eliminate_cell_deformation = True)ws.reference.load("../../../WS_Ref/ws.dump")node.modifiers.append(ws)# Define a modifier function that selects sites of type A=1 which# are occupied by exactly one atom of type B=2.def modify(frame, input, output): # Retrieve the two-dimensional Numpy array with the site occupancy numbers. occupancies = input.particle_properties['Occupancy'].array # Get the site types as additional input: site_type = input.particle_properties.particle_type.array # Calculate total occupancy of every site: total_occupancy = np.sum(occupancies, axis=1) # Set up a particle selection by creating the Selection property: selection1 = (site_type == 1) & (occupancies[:,0] == 0) & (occupancies[:,1] == 0) output.attributes['Ca_Vac'] = np.count_nonzero(selection1)# Insert Python modifier into the data pipeline.node.modifiers.append(PythonScriptModifier(function = modify))# Let OVITO do the computation and export the number of identified # antisites as a function of simulation time to a text file:export_file(node, "defects_200.txt", "txt", columns = ['Timestep', 'Ca_Vac'], multiple_frames = True)
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繁星淼淼
TA贡献1775条经验 获得超11个赞
试试 python glob 包。
>>> import glob
>>> glob.glob('./[0-9].*')
['./1.gif', './2.txt']
>>> glob.glob('*.gif')
['1.gif', 'card.gif']
>>> glob.glob('?.gif')
['1.gif']
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