From 2cd3bd4625104bda80276a9cea8258d383c631d3 Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Tue, 17 Feb 2015 11:40:29 +0100
Subject: [PATCH] Added method to PyGenVisitor to construct LatticeBasis
objects
---
Core/Tools/inc/PyGenVisitor.h | 1 +
Core/Tools/src/PyGenVisitor.cpp | 35 +++++++++++++++++++++++++++++++++
2 files changed, 36 insertions(+)
diff --git a/Core/Tools/inc/PyGenVisitor.h b/Core/Tools/inc/PyGenVisitor.h
index 0ff3cc26e4b..4b009da0ae8 100644
--- a/Core/Tools/inc/PyGenVisitor.h
+++ b/Core/Tools/inc/PyGenVisitor.h
@@ -81,6 +81,7 @@ private:
std::string defineFormFactors() const;
std::string defineParticles() const;
std::string defineCoreShellParticles() const;
+ std::string defineLatticeBases() const;
std::string defineInterferenceFunctions() const;
std::string defineParticleLayouts() const;
std::string defineRoughnesses() const;
diff --git a/Core/Tools/src/PyGenVisitor.cpp b/Core/Tools/src/PyGenVisitor.cpp
index d4cafc0e925..6cbbf879d8b 100644
--- a/Core/Tools/src/PyGenVisitor.cpp
+++ b/Core/Tools/src/PyGenVisitor.cpp
@@ -265,6 +265,7 @@ std::string PyGenVisitor::defineGetSample() const
result << defineFormFactors();
result << defineParticles();
result << defineCoreShellParticles();
+ result << defineLatticeBases();
result << defineInterferenceFunctions();
result << defineParticleLayouts();
result << defineRoughnesses();
@@ -684,6 +685,40 @@ std::string PyGenVisitor::defineCoreShellParticles() const
return result.str();
}
+std::string PyGenVisitor::defineLatticeBases() const
+{
+ if (m_label->getLatticeBasisMap()->size() == 0) return "";
+ std::ostringstream result;
+ result << std::setprecision(12);
+ result << "\n\t# Defining collection of particles with specific positions\n";
+ std::map<const LatticeBasis *,std::string>::iterator it =
+ m_label->getLatticeBasisMap()->begin();
+
+ while (it != m_label->getLatticeBasisMap()->end())
+ {
+ result << "\t" << it->second << " = LatticeBasis()\n";
+ for (size_t i=0; i<it->first->getNbrParticles(); ++i) {
+ std::vector<kvector_t> position_vector = it->first->getParticlePositions(i);
+ for (size_t j=0; j<position_vector.size(); ++j) {
+ result << "\tparticle_" << i
+ << "_position_" << j << " = kvector_t("
+ << position_vector[j].x() << "*nanometer,"
+ << position_vector[j].y() << "*nanometer,"
+ << position_vector[j].z() << "*nanometer)\n";
+ }
+ result << "\t" << it->second << ".addParticle("
+ << m_label->getLabel(it->first->getParticle(i)) << ", [";
+ for (size_t j=0; j<position_vector.size(); ++j) {
+ result << "particle_" << i << "_position_" << j;
+ if (j!=position_vector.size()-1) result << ", ";
+ }
+ result << "])\n";
+ }
+ it++;
+ }
+ return result.str();
+}
+
std::string PyGenVisitor::defineInterferenceFunctions() const
{
if (m_label->getInterferenceFunctionMap()->size() == 0) return "";
--
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