diff --git a/CADETMatch/CADETMatch.pyproj b/CADETMatch/CADETMatch.pyproj
index ebed2ec..c90f82a 100644
--- a/CADETMatch/CADETMatch.pyproj
+++ b/CADETMatch/CADETMatch.pyproj
@@ -14,7 +14,7 @@
False
CondaEnv|CondaEnv|cadet_devel
Standard Python launcher
- "C:\Users\kosh_000\Documents\Visual Studio 2017\Projects\CADETMatch\Examples\MCMC\Dextran\MCMC_dextran_nsga3.json" 6
+ "C:\Users\kosh_000\Documents\Visual Studio 2017\Projects\CADETMatch\Examples\Fractionation\NSGA3_combine_fraction.json" 6
False
diff --git a/CADETMatch/generate_graphs.py b/CADETMatch/generate_graphs.py
index a60d696..4867965 100644
--- a/CADETMatch/generate_graphs.py
+++ b/CADETMatch/generate_graphs.py
@@ -243,6 +243,16 @@ def graph_simulation_unit(simulation, unit, graph):
lines, labels = graph.get_legend_handles_labels()
graph.legend(lines, labels, loc=0)
+def convert_frac(start, stop, values):
+ x = []
+ y = []
+ for xl, xu, val in zip(start, stop,values):
+ x.append(xl)
+ y.append(val)
+ x.append(xu)
+ y.append(val)
+ return x,y
+
def plotExperiments(args):
save_name_base, json_path, directory, file_pattern = args
if json_path != cache.json_path:
@@ -341,13 +351,13 @@ def plotExperiments(args):
findMax = 0
max_comp = {}
for idx, (key, value) in enumerate(graph_sim.items()):
- (time, values) = zip(*value)
+ (time_start, time_stop, values) = zip(*value)
max_value = max(values)
findMax = max(findMax, max_value)
max_comp[key] = max_value
for idx, (key, value) in enumerate(graph_exp.items()):
- (time, values) = zip(*value)
+ (time_start, time_stop, values) = zip(*value)
max_value = max(values)
findMax = max(findMax, max_value)
max_comp[key] = max(max_comp[key], max_value)
@@ -355,7 +365,7 @@ def plotExperiments(args):
graph = fig.add_subplot(numPlots, 1, graphIdx) #additional +1 added due to the overview plot
factors = []
for idx, (key, value) in enumerate(graph_sim.items()):
- (time, values) = zip(*value)
+ (time_start, time_stop, values) = zip(*value)
values = numpy.array(values)
mult = 1.0
if max(values) < (.2 * findMax):
@@ -374,14 +384,19 @@ def plotExperiments(args):
label = 'Simulation Comp: %s Mult:%.2f %s' % (key, mult, time_str)
- graph.plot(time, values, '--', color=get_color(idx, len(graph_sim), cm_plot), label=label)
+ x, y = convert_frac(time_start, time_stop, values)
+
+ graph.plot(x, y, '--', color=get_color(idx, len(graph_sim), cm_plot), label=label)
for idx, (key, value) in enumerate(graph_exp.items()):
- (time, values) = zip(*value)
+ (time_start, time_stop, values) = zip(*value)
values = numpy.array(values)
mult = factors[idx]
values = values * mult
- graph.plot(time, values, ':', color=get_color(idx, len(graph_sim), cm_plot), label='Experiment Comp: %s Mult:%.2f' % (key, mult))
+
+ x, y = convert_frac(time_start, time_stop, values)
+
+ graph.plot(x, y, ':', color=get_color(idx, len(graph_sim), cm_plot), label='Experiment Comp: %s Mult:%.2f' % (key, mult))
graphIdx += 1
graph.legend()
fig.set_size_inches((24,12*numPlots))
diff --git a/CADETMatch/scores/fractionationSSE.py b/CADETMatch/scores/fractionationSSE.py
index aa814fa..a9e4f7f 100644
--- a/CADETMatch/scores/fractionationSSE.py
+++ b/CADETMatch/scores/fractionationSSE.py
@@ -47,8 +47,8 @@ def run(sim_data, feature):
exp_values_sse.extend(exp_values[selected])
sim_values_sse.extend(fractions)
- graph_sim[component] = list(zip(time_center[selected], fractions))
- graph_exp[component] = list(zip(time_center[selected], exp_values[selected]))
+ graph_sim[component] = list(zip(start[selected], stop[selected], fractions))
+ graph_exp[component] = list(zip(start[selected], stop[selected], exp_values[selected]))
#sort lists
for key, value in graph_sim.items():
diff --git a/CADETMatch/scores/fractionationSlide.py b/CADETMatch/scores/fractionationSlide.py
index 155cd45..298a627 100644
--- a/CADETMatch/scores/fractionationSlide.py
+++ b/CADETMatch/scores/fractionationSlide.py
@@ -106,8 +106,9 @@ def run(sim_data, feature):
scores.append(time_score)
scores.append(value_score)
- graph_sim[component] = list(zip(time_center[selected], fracOffset))
- graph_exp[component] = list(zip(time_center[selected], exp_values[selected]))
+ graph_sim[component] = list(zip(start[selected], stop[selected], fracOffset))
+ graph_exp[component] = list(zip(start[selected], stop[selected], exp_values[selected]))
+
graph_sim_offset[component] = time_offset
sim_data['graph_exp'] = graph_exp
diff --git a/CADETMatch/version.py b/CADETMatch/version.py
index 1ea739c..43bd5f5 100644
--- a/CADETMatch/version.py
+++ b/CADETMatch/version.py
@@ -16,5 +16,5 @@
__email__ = "w.heymann@fz-juelich.de"
__license__ = "GNU General Public License v3 (GPLv3)"
__copyright__ = "2020 %s" % __author__
-__version__ = "0.5.52"
+__version__ = "0.5.53"
__uri__ = "https://github.com/modsim/CADET-Match"