Add support for atom style variable values
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@ -306,18 +306,21 @@ class OutputCapture(object):
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class Variable(object):
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def __init__(self, lammps_wrapper_instance, name, style, definition):
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self.lmp = lammps_wrapper_instance
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self.wrapper = lammps_wrapper_instance
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self.name = name
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self.style = style
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self.definition = definition.split()
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@property
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def value(self):
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value = self.lmp.print('"${%s}"' % self.name).strip()
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try:
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return float(value)
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except ValueError:
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return value
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if self.style == 'atom':
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return list(self.wrapper.lmp.extract_variable(self.name, "all", 1))
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else:
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value = self.wrapper.print('"${%s}"' % self.name).strip()
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try:
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return float(value)
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except ValueError:
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return value
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class AtomList(object):
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