def finalSummary(amoptd):
"""Print a final summary of the job"""
mrbump_data = amoptd['mrbump_results']
if not mrbump_data:
return "Could not find any MRBUMP results in directory: {0}!".format(
amoptd['mrbump_dir'])
if 'ensembles_data' in amoptd and not (amoptd['ideal_helices']
or amoptd['homologs']
or amoptd['single_model_mode']):
results = []
# Merge dictionaries together
ensembles_data = amoptd['ensembles_data']
for mrb in mrbump_data:
d = copy.copy(mrb)
for ed in ensembles_data:
if ed['name'] == d['ensemble_name']:
d.update(ed)
results.append(d)
keys = ['ensemble_name', 'Solution_Type', 'MR_program']
keys += _resultsKeys(results)
keys += ['subcluster_num_models', 'num_residues']
else:
results = mrbump_data
keys = ['name', 'Solution_Type', 'MR_program']
keys += _resultsKeys(results)
resultsTable = []
resultsTable.append(keys)
for result in results:
resultLine = []
for k in keys:
resultLine.append(result[k])
resultsTable.append(resultLine)
# Format the results
table = printTable.Table()
summary = table.pprint_table(resultsTable)
r = "\n\nOverall Summary:\n\n"
r += summary
if len(results) and "MR_directory" in results[0]:
r += '\nBest Molecular Replacement results so far are in:\n\n'
r += str(results[0]["MR_directory"])
r += '\n\n'
return r
def ensemble_summary(ensembles_data):
"""Print a summary of the ensembling process
Parameters
----------
ensembles_data : list, tuple
A list of ensembles' data dictionaries
Returns
-------
str
"""
tableFormat = printTable.Table()
d = collate_cluster_data(ensembles_data)
clusters = d['clusters']
num_clusters = len(clusters)
rstr = "\n"
rstr += "Ensemble Results\n"
rstr += "----------------\n\n"
rstr += "Cluster method: {0}\n".format(d['cluster_method'])
rstr += "Cluster score type: {0}\n".format(d['cluster_score_type'])
rstr += "Number of clusters: {0}\n".format(num_clusters)
rstr += "Truncation method: {0}\n".format(d['truncation_method'])
rstr += "Percent truncation: {0}\n".format(d['percent_truncation'])
rstr += "Side-chain treatments: {0}\n".format(d['side_chain_treatments'])
for cluster_num in sorted(clusters.keys()):
rstr += "\n"
rstr += "Cluster {0}\n".format(cluster_num)
rstr += "Number of models: {0}\n".format(
clusters[cluster_num]['cluster_num_models'])
rstr += "Cluster centroid: {0}\n".format(
clusters[cluster_num]['cluster_centroid'])
rstr += "\n"
tdata = cluster_table_data(
clusters, cluster_num, d['side_chain_treatments'])
rstr += tableFormat.pprint_table(tdata)
rstr += "\nGenerated {0} ensembles\n\n".format(len(ensembles_data))
return rstr
def summaryString(self):
"""Return a string suitable for printing the sorted results"""
resultsTable = self.results_table(self.results)
# Format the results
table = printTable.Table()
summary = table.pprint_table(resultsTable)
r = "\n\nOverall Summary:\n\n"
r += summary
# Hack need to think of a better way to do this when there are no valid results
top = self.results[0]
k = None
for p in ['Search_directory', 'MR_directory']:
if p in top.keys():
k = p
assert k, "Missing search directory key in results dictionary"
if top[k]:
r += '\nBest Molecular Replacement results so far are in:\n\n'
r += top[k]
r += '\n\n'
return r