11 proshadePath = cwd +
"/../install/python";
13 sys.path.append ( proshadePath );
18 setUp = proshade.ProSHADE_settings ();
22 setUp.energyLevelDist =
True;
23 setUp.traceSigmaDist =
True;
24 setUp.fullRotFnDist =
True;
27 setUp.enLevelsThreshold = -999.9;
28 setUp.trSigmaThreshold = -999.9;
31 setUp.taskToPerform = proshade.Distances;
34 setUp.databaseName =
"";
35 setUp.volumeTolerance = 0.4;
36 setUp.clearMapData =
False;
40 setUp.htmlReport =
False;
43 if len(sys.argv) != 3:
44 print (
"Usage: python useDatabase.py [dbName] [filename1] to get distances from [filename1] to all files in the database." );
47 setUp.databaseName = str( sys.argv[1] );
48 setUp.appendStructure ( str( sys.argv[ 2 ] ) );
52 runProshade = proshade.ProSHADE ( setUp );
56 crossCorrDists = runProshade.getCrossCorrDists ( );
57 traceSigmaDists = runProshade.getTraceSigmaDists ( );
58 rotationFunctionDists = runProshade.getRotFunctionDists ( );
62 sys.stdout.write (
"ProSHADE module version: " + runProshade.getProSHADEVersion() +
"\n" );
63 sys.stdout.write (
"\n" );
66 if len(crossCorrDists) > 0:
67 ccOut =
"Cross-correlation distances : " +
"%+1.5f" % crossCorrDists[0];
68 for it
in range ( 1, len(crossCorrDists) ):
69 ccOut = ccOut +
"\t" +
"%+1.5f" % crossCorrDists[it];
70 sys.stdout.write ( ccOut +
"\n" );
73 if len(traceSigmaDists) > 0:
74 tsOut =
"Trace sigma distances : " +
"%+1.5f" % traceSigmaDists[0];
75 for it
in range ( 1, len(traceSigmaDists) ):
76 tsOut = tsOut +
"\t" +
"%+1.5f" % traceSigmaDists[it];
77 sys.stdout.write ( tsOut +
"\n" );
80 if len(rotationFunctionDists) > 0:
81 rfOut =
"Rotation function distances : " +
"%+1.5f" % rotationFunctionDists[0];
82 for it
in range ( 1, len(rotationFunctionDists) ):
83 rfOut = rfOut +
"\t" +
"%+1.5f" % rotationFunctionDists[it];
84 sys.stdout.write ( rfOut +
"\n" );