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"