11 proshadePath = cwd +
"/../install/python3";
13 sys.path.append ( proshadePath );
14 import proshade3
as proshade;
18 setUp = proshade.ProSHADE_settings ();
21 setUp.mapResolution = 8.0;
23 setUp.glIntegOrder = 0;
28 setUp.bFactorValue = 80.0;
29 setUp.bFactorChange = 0.0;
32 setUp.shellSpacing = 0.0;
33 setUp.manualShells = 0;
36 setUp.usePhase =
True;
40 setUp.maskBlurFactor = 500.0;
41 setUp.maskBlurFactorGiven =
False;
48 setUp.ignoreLsAddValuePy ( 0 );
51 setUp.energyLevelDist =
True;
52 setUp.traceSigmaDist =
True;
53 setUp.fullRotFnDist =
True;
56 setUp.enLevelsThreshold = -999.9;
57 setUp.trSigmaThreshold = -999.9;
60 setUp.taskToPerform = proshade.Distances;
64 setUp.htmlReport =
False;
68 print (
"Usage: python getDistances.py [filename1] [filename2] ... [filenameX] to get distances from [filename1] to all other files. Minimum of two files." );
71 hlpPyStrVec = proshade.StringList ( len(sys.argv)-1 );
72 for it
in range ( 1, len(sys.argv) ):
73 hlpPyStrVec[ it-1 ] = str(sys.argv[it]);
76 setUp.structFiles = hlpPyStrVec;
80 runProshade = proshade.ProSHADE ( setUp );
84 crossCorrDists = runProshade.getCrossCorrDists ( );
85 traceSigmaDists = runProshade.getTraceSigmaDists ( );
86 rotationFunctionDists = runProshade.getRotFunctionDists ( );
90 print (
"ProSHADE module version: " + runProshade.getProSHADEVersion() );
92 if len(crossCorrDists) > 0:
93 ccOut =
"Cross-correlation distances : " +
"%1.5f" % crossCorrDists[0];
94 for it
in range ( 1, len(crossCorrDists) ):
95 ccOut = ccOut +
"\t" +
"%1.5f" % crossCorrDists[it];
96 sys.stdout.write ( ccOut +
"\n" );
99 if len(traceSigmaDists) > 0:
100 tsOut =
"Trace sigma distances : " +
"%1.5f" % traceSigmaDists[0];
101 for it
in range ( 1, len(traceSigmaDists) ):
102 tsOut = tsOut +
"\t" +
"%1.5f" % traceSigmaDists[it];
103 sys.stdout.write ( tsOut +
"\n" );
104 sys.stdout.flush ( );
106 if len(rotationFunctionDists) > 0:
107 rfOut =
"Rotation function distances : " +
"%1.5f" % rotationFunctionDists[0];
108 for it
in range ( 1, len(rotationFunctionDists) ):
109 rfOut = rfOut +
"\t" +
"%1.5f" % rotationFunctionDists[it];
110 sys.stdout.write ( rfOut +
"\n" );
111 sys.stdout.flush ( );