schrodinger.application.matsci.property_names module¶
Constants for CT-level properties.
Copyright Schrodinger, LLC. All rights reserved.
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schrodinger.application.matsci.property_names.
kcal_prop_to_ev_prop
(prop)[source]¶ Convert a property name that is in kcal/mol to one that is in eV
- Parameters
prop (str) – The property name
- Return type
str
- Returns
The property name with kcal/mol replaced by eV
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schrodinger.application.matsci.property_names.
get_tg_props
(temp)[source]¶ Get the Tg property names for the given temperature
- Parameters
temp (float) – The temperature for these property names
- Return type
(str, str)
- Param
The density and standard deviation property names at the given temp
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exception
schrodinger.application.matsci.property_names.
PropertyNameError
[source]¶ Bases:
Exception
Raised for invalid property names
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__init__
(*args, **kwargs)¶ Initialize self. See help(type(self)) for accurate signature.
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args
¶
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with_traceback
()¶ Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.
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schrodinger.application.matsci.property_names.
get_user_name
(prop)[source]¶ Returns the user-facing name of an m2io property
- Parameters
prop (str) – An m2io property name such as r_m_property_name
- Return type
str
- Returns
User-facing property name
- Raises
PropertyNameError – Exception for invalid m2io property names