From e2c0143ffad6aa9a6f69944e1e63547a5efff22b Mon Sep 17 00:00:00 2001
From: Walter Van Herck <w.van.herck@fz-juelich.de>
Date: Thu, 27 Sep 2018 17:08:40 +0200
Subject: [PATCH] Add tetragonal lattice factory methods in Lattice
---
Core/Lattice/Lattice.cpp | 18 +++++++++++++++++-
Core/Lattice/Lattice.h | 4 ++++
2 files changed, 21 insertions(+), 1 deletion(-)
diff --git a/Core/Lattice/Lattice.cpp b/Core/Lattice/Lattice.cpp
index 73a5dc34973..775fa83ff13 100644
--- a/Core/Lattice/Lattice.cpp
+++ b/Core/Lattice/Lattice.cpp
@@ -163,7 +163,7 @@ Lattice Lattice::createFCCLattice(double a)
Lattice Lattice::createHexagonalLattice(double a, double c)
{
kvector_t a1(a, 0.0, 0.0);
- kvector_t a2(-a/2.0, std::sqrt(3.0)*a/2.0, 0);
+ kvector_t a2(-a/2.0, std::sqrt(3.0)*a/2.0, 0.0);
kvector_t a3(0.0, 0.0, c);
return Lattice(a1, a2, a3);
}
@@ -176,6 +176,22 @@ Lattice Lattice::createHCPLattice(double a, double c)
return Lattice(a1, a2, a3);
}
+Lattice Lattice::createTetragonalLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(0.0, a, 0.0);
+ kvector_t a3(0.0, 0.0, c);
+ return Lattice(a1, a2, a3);
+}
+
+Lattice Lattice::createBCTLattice(double a, double c)
+{
+ kvector_t a1(a, 0.0, 0.0);
+ kvector_t a2(0.0, a, 0.0);
+ kvector_t a3(a/2.0, a/2.0, c/2.0);
+ return Lattice(a1, a2, a3);
+}
+
void Lattice::onChange()
{
m_cache_ok = false;
diff --git a/Core/Lattice/Lattice.h b/Core/Lattice/Lattice.h
index f409672c485..b7e087e46cd 100644
--- a/Core/Lattice/Lattice.h
+++ b/Core/Lattice/Lattice.h
@@ -83,6 +83,10 @@ public:
static Lattice createHCPLattice(double a, double c);
+ static Lattice createTetragonalLattice(double a, double c);
+
+ static Lattice createBCTLattice(double a, double c);
+
void onChange() override;
private:
--
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