From 5d28d89b393ff25bd741e237b9ff21d8343ad45a Mon Sep 17 00:00:00 2001
From: Martin Bauer <martin.bauer@fau.de>
Date: Wed, 5 Dec 2018 13:42:23 +0100
Subject: [PATCH] Conversion from order-parameters to concentration for n-phase
-> last concentration is automatically computed as 1-others
-> makes code more general
---
phasefield/analytical.py | 2 --
phasefield/scenarios.py | 28 +++++++++++++++++++++++++++-
plot2d.py | 10 ++++++----
3 files changed, 33 insertions(+), 7 deletions(-)
diff --git a/phasefield/analytical.py b/phasefield/analytical.py
index 93a6234a..c38469dd 100644
--- a/phasefield/analytical.py
+++ b/phasefield/analytical.py
@@ -1,7 +1,5 @@
import sympy as sp
from collections import defaultdict
-from functools import partial
-
from pystencils.sympyextensions import multidimensional_sum as multi_sum, normalize_product, prod
from pystencils.fd import functional_derivative, expand_diff_linear, Diff, expand_diff_full
diff --git a/phasefield/scenarios.py b/phasefield/scenarios.py
index 955be13e..f8d9df1f 100644
--- a/phasefield/scenarios.py
+++ b/phasefield/scenarios.py
@@ -1,5 +1,6 @@
import sympy as sp
import numpy as np
+import warnings
from lbmpy.phasefield.phasefieldstep import PhaseFieldStep
from lbmpy.phasefield.analytical import free_energy_functional_3_phases, free_energy_functional_n_phases, \
symbolic_order_parameters, free_energy_functional_n_phases_penalty_term
@@ -49,7 +50,32 @@ def create_n_phase_model(alpha=1, num_phases=4,
free_energy = free_energy_functional_n_phases(num_phases, surface_tensions, alpha,
order_parameters, f1=f1, f2=f2,
triple_point_energy=triple_point_energy)
- return PhaseFieldStep(free_energy, order_parameters, **kwargs)
+
+ def concentration_to_order_parameters(c):
+ c = np.array(c)
+ c_sum = np.sum(c, axis=-1)
+ if isinstance(c_sum, np.ndarray):
+ np.subtract(c_sum, 1, out=c_sum)
+ np.abs(c_sum, out=c_sum)
+ deviation = np.max(c_sum)
+ else:
+ deviation = np.abs(c_sum - 1)
+ if deviation > 1e-5:
+ warnings.warn("Initialization problem: concentrations have to add up to 1")
+ return c[..., :-1]
+
+ def order_parameters_to_concentrations(op):
+ op_shape = list(op.shape)
+ op_shape[-1] += 1
+ result = np.empty(op_shape)
+ np.copyto(result[..., :-1], op)
+ result[..., -1] = 1 - np.sum(op, axis=-1)
+ return result
+
+ return PhaseFieldStep(free_energy, order_parameters,
+ concentration_to_order_parameters=concentration_to_order_parameters,
+ order_parameters_to_concentrations=order_parameters_to_concentrations,
+ **kwargs)
def create_n_phase_model_penalty_term(alpha=1, num_phases=4, kappa=0.015, penalty_term_factor=0.01, **kwargs):
diff --git a/plot2d.py b/plot2d.py
index e4dee9e5..13bd5eec 100644
--- a/plot2d.py
+++ b/plot2d.py
@@ -76,11 +76,13 @@ def phase_plot(phase_field: np.ndarray, linewidth=1.0, clip=True) -> None:
assert len(phase_field.shape) == 3
- for i in range(phase_field.shape[-1]):
- scalar_field_alpha_value(phase_field[..., i], next(color_cycle), clip=clip, interpolation='bilinear')
- if linewidth:
+ with warnings.catch_warnings():
+ warnings.simplefilter("ignore", lineno=1230)
for i in range(phase_field.shape[-1]):
- scalar_field_contour(phase_field[..., i], levels=[0.5], colors='k', linewidths=[linewidth])
+ scalar_field_alpha_value(phase_field[..., i], next(color_cycle), clip=clip, interpolation='bilinear')
+ if linewidth:
+ for i in range(phase_field.shape[-1]):
+ scalar_field_contour(phase_field[..., i], levels=[0.5], colors='k', linewidths=[linewidth])
def phase_plot_for_step(phase_field_step, slice_obj=make_slice[:, :], **kwargs):
--
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