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How to export the number of different atoms?

Shuai Guo
3 Posts
#1 · December 22, 2019, 10:24 am
Quote from Shuai Guo on December 22, 2019, 10:24 amHi,
I want to export the number of different atoms in the selected atoms, but I do not know how to do it.
from ovito.io import * from ovito import dataset from ovito.modifiers import * from ovito.data import * import numpy as np import math node = import_file('D:/Science data/NiAlCu/Dump_File/dump.190000') node.modifiers.append(PolyhedralTemplateMatchingModifier()) node.modifiers.append(SelectExpressionModifier(expression = 'ParticleIdentifier == 123763 || ParticleIdentifier == 214839 || ParticleIdentifier == 312201 || ParticleIdentifier == 142980 ||ParticleIdentifier == 273790 || ParticleIdentifier == 225157 || ParticleIdentifier == 163231 || ParticleIdentifier == 165975 ||ParticleIdentifier == 144013 || ParticleIdentifier == 183804 || ParticleIdentifier == 212371 || ParticleIdentifier == 224394 ||ParticleIdentifier == 234345 || ParticleIdentifier == 265391 || ParticleIdentifier == 232208 || ParticleIdentifier == 275171 ||ParticleIdentifier == 184179 || ParticleIdentifier == 196198 || ParticleIdentifier == 225781 || ParticleIdentifier == 224626 ||ParticleIdentifier == 173967 || ParticleIdentifier == 252814 || ParticleIdentifier == 245596 || ParticleIdentifier == 224977 ||ParticleIdentifier == 183627 || ParticleIdentifier == 252234 || ParticleIdentifier == 265386 || ParticleIdentifier == 255168 || ParticleIdentifier == 294217')) node.modifiers.append(ExpandSelectionModifier(cutoff = 3.5)) node.modifiers.append(ExpandSelectionModifier(cutoff = 3.5)) node.modifiers.append(InvertSelectionModifier()) node.modifiers.append(DeleteSelectedParticlesModifier()) node.modifiers.append(SelectExpressionModifier(expression = 'ParticleIdentifier == 123763 || ParticleIdentifier == 214839 || ParticleIdentifier == 312201 || ParticleIdentifier == 142980 ||ParticleIdentifier == 273790 || ParticleIdentifier == 225157 || ParticleIdentifier == 163231 || ParticleIdentifier == 165975 ||ParticleIdentifier == 144013 )) node.modifiers.append(InvertSelectionModifier()) node.modifiers.append(DeleteSelectedParticlesModifier()) node.compute() print(np.count_nonzero( ParticleType == Type 1)) print(np.count_nonzero( ParticleType == Type 2)) print(np.count_nonzero( ParticleType == Type 3))
Hi,
I want to export the number of different atoms in the selected atoms, but I do not know how to do it.
from ovito.io import * from ovito import dataset from ovito.modifiers import * from ovito.data import * import numpy as np import math node = import_file('D:/Science data/NiAlCu/Dump_File/dump.190000') node.modifiers.append(PolyhedralTemplateMatchingModifier()) node.modifiers.append(SelectExpressionModifier(expression = 'ParticleIdentifier == 123763 || ParticleIdentifier == 214839 || ParticleIdentifier == 312201 || ParticleIdentifier == 142980 ||ParticleIdentifier == 273790 || ParticleIdentifier == 225157 || ParticleIdentifier == 163231 || ParticleIdentifier == 165975 ||ParticleIdentifier == 144013 || ParticleIdentifier == 183804 || ParticleIdentifier == 212371 || ParticleIdentifier == 224394 ||ParticleIdentifier == 234345 || ParticleIdentifier == 265391 || ParticleIdentifier == 232208 || ParticleIdentifier == 275171 ||ParticleIdentifier == 184179 || ParticleIdentifier == 196198 || ParticleIdentifier == 225781 || ParticleIdentifier == 224626 ||ParticleIdentifier == 173967 || ParticleIdentifier == 252814 || ParticleIdentifier == 245596 || ParticleIdentifier == 224977 ||ParticleIdentifier == 183627 || ParticleIdentifier == 252234 || ParticleIdentifier == 265386 || ParticleIdentifier == 255168 || ParticleIdentifier == 294217')) node.modifiers.append(ExpandSelectionModifier(cutoff = 3.5)) node.modifiers.append(ExpandSelectionModifier(cutoff = 3.5)) node.modifiers.append(InvertSelectionModifier()) node.modifiers.append(DeleteSelectedParticlesModifier()) node.modifiers.append(SelectExpressionModifier(expression = 'ParticleIdentifier == 123763 || ParticleIdentifier == 214839 || ParticleIdentifier == 312201 || ParticleIdentifier == 142980 ||ParticleIdentifier == 273790 || ParticleIdentifier == 225157 || ParticleIdentifier == 163231 || ParticleIdentifier == 165975 ||ParticleIdentifier == 144013 )) node.modifiers.append(InvertSelectionModifier()) node.modifiers.append(DeleteSelectedParticlesModifier()) node.compute() print(np.count_nonzero( ParticleType == Type 1)) print(np.count_nonzero( ParticleType == Type 2)) print(np.count_nonzero( ParticleType == Type 3))
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Constanze Kalcher
607 Posts
#2 · December 30, 2019, 11:52 am
Quote from Constanze Kalcher on December 30, 2019, 11:52 amHi Shuai,
you should modify the last 4 lines to:
data = node.compute() ptype = data.particles["Particle Type"] print(np.count_nonzero(ptype == 1)) print(np.count_nonzero(ptype == 2)) print(np.count_nonzero(ptype == 3))-Constanze
Hi Shuai,
you should modify the last 4 lines to:
data = node.compute() ptype = data.particles["Particle Type"] print(np.count_nonzero(ptype == 1)) print(np.count_nonzero(ptype == 2)) print(np.count_nonzero(ptype == 3))
-Constanze

Shuai Guo
3 Posts
#3 · January 2, 2020, 2:09 pm
Quote from Shuai Guo on January 2, 2020, 2:09 pmHi Constanze,
Thank you for your help!
Shuai
Hi Constanze,
Thank you for your help!
Shuai
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