本文整理汇总了Python中sympy.Add.xreplace方法的典型用法代码示例。如果您正苦于以下问题：Python Add.xreplace方法的具体用法？Python Add.xreplace怎么用？Python Add.xreplace使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类sympy.Add的用法示例。
在下文中一共展示了Add.xreplace方法的1个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。
示例1: atomic_ordering_energy
# 需要导入模块: from sympy import Add [as 别名]
# 或者: from sympy.Add import xreplace [as 别名]
def atomic_ordering_energy(self, dbe):
"""
Return the atomic ordering contribution in symbolic form.
Description follows Servant and Ansara, Calphad, 2001.
"""
phase = dbe.phases[self.phase_name]
ordered_phase_name = phase.model_hints.get('ordered_phase', None)
disordered_phase_name = phase.model_hints.get('disordered_phase', None)
if phase.name != ordered_phase_name:
return S.Zero
disordered_model = self.__class__(dbe, sorted(self.components),
disordered_phase_name)
constituents = [sorted(set(c).intersection(self.components)) \
for c in dbe.phases[ordered_phase_name].constituents]
# Fix variable names
variable_rename_dict = {}
disordered_sitefracs = [x for x in disordered_model.energy.free_symbols if isinstance(x, v.SiteFraction)]
for atom in disordered_sitefracs:
# Replace disordered phase site fractions with mole fractions of
# ordered phase site fractions.
# Special case: Pure vacancy sublattices
all_species_in_sublattice = \
dbe.phases[disordered_phase_name].constituents[
atom.sublattice_index]
if atom.species.name == 'VA' and len(all_species_in_sublattice) == 1:
# Assume: Pure vacancy sublattices are always last
vacancy_subl_index = \
len(dbe.phases[ordered_phase_name].constituents)-1
variable_rename_dict[atom] = \
v.SiteFraction(
ordered_phase_name, vacancy_subl_index, atom.species)
else:
# All other cases: replace site fraction with mole fraction
variable_rename_dict[atom] = \
self.mole_fraction(
atom.species,
ordered_phase_name,
constituents,
dbe.phases[ordered_phase_name].sublattices
)
# Save all of the ordered energy contributions
# This step is why this routine must be called _last_ in build_phase
ordered_energy = Add(*list(self.models.values()))
self.models.clear()
# Copy the disordered energy contributions into the correct bins
for name, value in disordered_model.models.items():
self.models[name] = value.xreplace(variable_rename_dict)
# All magnetic parameters will be defined in the disordered model
self.TC = self.curie_temperature = disordered_model.TC
self.TC = self.curie_temperature = self.TC.xreplace(variable_rename_dict)
molefraction_dict = {}
# Construct a dictionary that replaces every site fraction with its
# corresponding mole fraction in the disordered state
ordered_sitefracs = [x for x in ordered_energy.free_symbols if isinstance(x, v.SiteFraction)]
for sitefrac in ordered_sitefracs:
all_species_in_sublattice = \
dbe.phases[ordered_phase_name].constituents[
sitefrac.sublattice_index]
if sitefrac.species.name == 'VA' and len(all_species_in_sublattice) == 1:
# pure-vacancy sublattices should not be replaced
# this handles cases like AL,NI,VA:AL,NI,VA:VA and
# ensures the VA's don't get mixed up
continue
molefraction_dict[sitefrac] = \
self.mole_fraction(sitefrac.species,
ordered_phase_name, constituents,
dbe.phases[ordered_phase_name].sublattices)
return ordered_energy - ordered_energy.xreplace(molefraction_dict)