Hi
I want to write a script that analyses distribution of voids in a polymer. I can perfectly do this from the level of MS GUI by performing following steps:
1. Tools/Atoms Vol and Surf/Connolly Surf (default settings)
2. Create Segragates
3. Analyze Segregate Field/Segregate Size
I attach screens initial structure->volumes->segregates
I was trying to do this from the level of scripting. I can create volumes, segregate but no segregates not mentioning the analysis. Please help
#!perl
use strict;
use Getopt::Long;
use MaterialsScript qw(:all);
use Getopt::Long;
use MaterialsScript qw(:all);
my \$fileName = 'gel35.xsd';
my \$doc = \$Documents{\$fileName};
my \$fieldConnolly = Tools->AtomVolumesSurfaces->Connolly->Calculate(\$doc, Settings());
\$fieldConnolly->Style = "None";
my \$isosurfaceConnolly = \$fieldConnolly->CreateIsosurface([
IsoValue => 0.0,
HasFlippedNormals => "No"]);
my \$radius = \$fieldConnolly->FieldMean;
my \$segregator = \$fieldConnolly->CreateSegregator(0,[SegregateConnectivities => "Isolated",
SegregateValues => "Low"]);
#\$segregator->CalculateSegregates;
my \$doc = \$Documents{\$fileName};
my \$fieldConnolly = Tools->AtomVolumesSurfaces->Connolly->Calculate(\$doc, Settings());
\$fieldConnolly->Style = "None";
my \$isosurfaceConnolly = \$fieldConnolly->CreateIsosurface([
IsoValue => 0.0,
HasFlippedNormals => "No"]);
my \$radius = \$fieldConnolly->FieldMean;
my \$segregator = \$fieldConnolly->CreateSegregator(0,[SegregateConnectivities => "Isolated",
SegregateValues => "Low"]);
#\$segregator->CalculateSegregates;
