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)