diff --git a/CADETMatch/CADETMatch.pyproj b/CADETMatch/CADETMatch.pyproj
index 9ea9432..ac37745 100644
--- a/CADETMatch/CADETMatch.pyproj
+++ b/CADETMatch/CADETMatch.pyproj
@@ -14,7 +14,7 @@
False
CondaEnv|CondaEnv|CADETMatch
Standard Python launcher
- "C:\Users\kosh_000\CADET\lessons\lesson_0\example.json" 2
+ "F:\temp\cadet_tutorial\lesson_7\bypass\example_bypass.json" 2
False
-m scoop -n 6
diff --git a/CADETMatch/match.py b/CADETMatch/match.py
index 54e6946..67371e9 100644
--- a/CADETMatch/match.py
+++ b/CADETMatch/match.py
@@ -199,6 +199,15 @@ def setupTemplates(cache):
util.setupSimulation(template, cache.target[name]['time'], cache.target[name]['smallest_peak'], cache)
+ start = time.time()
+ util.runExperiment(None, experiment, cache.settings, cache.target, template, float(experiment['timeout'])*10, cache)
+ elapsed = time.time() - start
+
+ scoop.logger.info("simulation took %s", elapsed)
+
+ #timeout needs to be stored in the template so all processes have it without calculating it
+ template.root.timeout = elapsed * 10
+
if cache.settings['searchMethod'] != 'MCMC' and "kde_synthetic" in cache.settings:
#the base case needs to be saved since the normal template file is what the rest of the code will look for
template_base_path = Path(cache.settings['resultsDirMisc'], "template_%s_base.h5" % name)
@@ -212,18 +221,9 @@ def setupTemplates(cache):
template_bias.save()
template = template_bias
- start = time.time()
- util.runExperiment(None, experiment, cache.settings, cache.target, template, float(experiment['timeout'])*10, cache)
- elapsed = time.time() - start
-
- scoop.logger.info("simulation took %s", elapsed)
-
#change to where we want the template created
template.filename = template_path.as_posix()
-
- #timeout needs to be stored in the template so all processes have it without calculating it
- template.root.timeout = elapsed * 10
-
+
template.save()
experiment['simulation'] = template
diff --git a/CADETMatch/pareto.py b/CADETMatch/pareto.py
index 729ba11..3dfc189 100644
--- a/CADETMatch/pareto.py
+++ b/CADETMatch/pareto.py
@@ -52,6 +52,6 @@ def __init__(self, similar=None):
similar = eq
super().__init__(similar)
- def update(self, population, cache):
+ def update(self, population):
"do not put anything in this front, it is just needed to maintain compatibility"
pass
\ No newline at end of file
diff --git a/CADETMatch/search/mcmc.py b/CADETMatch/search/mcmc.py
index a08c868..e6789bc 100644
--- a/CADETMatch/search/mcmc.py
+++ b/CADETMatch/search/mcmc.py
@@ -371,9 +371,9 @@ def run(cache, tools, creator):
result_data = {'input':[], 'output':[], 'output_meta':[], 'results':{}, 'times':{}, 'input_transform':[], 'input_transform_extended':[], 'strategy':[],
'mean':[], 'confidence':[], 'mcmc_score':[]}
- halloffame = pareto.DummyFront(similar=util.similar, similar_fit=util.similar_fit)
+ halloffame = pareto.DummyFront(similar=util.similar)
meta_hof = pareto.ParetoFront(similar=util.similar, similar_fit=util.similar_fit_meta)
- grad_hof = pareto.DummyFront(similar=util.similar, similar_fit=util.similar_fit)
+ grad_hof = pareto.DummyFront(similar=util.similar)
def local(results):
return process(cache, halloffame, meta_hof, grad_hof, result_data, results, writer, csvfile, sampler)