From 7399bc1fb7da328784fb22ba9bd9bc85a8792de2 Mon Sep 17 00:00:00 2001
From: anikhalder <halder.anik04@gmail.com>
Date: Wed, 17 Oct 2018 13:50:24 +0200
Subject: [PATCH] Corrections to lattice position calculation of 2D Paracrystal
---
.../RealSpace2DParacrystalUtils.cpp | 115 +++++++++---------
1 file changed, 56 insertions(+), 59 deletions(-)
diff --git a/GUI/coregui/Views/RealSpaceWidgets/RealSpace2DParacrystalUtils.cpp b/GUI/coregui/Views/RealSpaceWidgets/RealSpace2DParacrystalUtils.cpp
index 28f8c098a08..373f0540f72 100644
--- a/GUI/coregui/Views/RealSpaceWidgets/RealSpace2DParacrystalUtils.cpp
+++ b/GUI/coregui/Views/RealSpaceWidgets/RealSpace2DParacrystalUtils.cpp
@@ -21,12 +21,10 @@ RealSpace2DParacrystalUtils::RealSpace2DParacrystalUtils()
: m_interference2DParacrystal(nullptr)
, m_sceneGeometry(nullptr)
{
-
}
RealSpace2DParacrystalUtils::~RealSpace2DParacrystalUtils()
{
-
}
RealSpace2DParacrystalUtils::RealSpace2DParacrystalUtils(
@@ -35,15 +33,14 @@ RealSpace2DParacrystalUtils::RealSpace2DParacrystalUtils(
{
m_interference2DParacrystal = interference2DParacrystal;
m_sceneGeometry = sceneGeometry;
-
}
-std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrystalLatticePositions()
+std::vector<std::vector<double>> RealSpace2DParacrystalUtils::compute2DParacrystalLatticePositions()
{
- double l1 = m_interference2DParacrystal->lattice().length1();
- double l2 = m_interference2DParacrystal->lattice().length2();
- double l_alpha = m_interference2DParacrystal->lattice().latticeAngle();
- double l_xi = m_interference2DParacrystal->lattice().rotationAngle();
+ double l1 = m_interference2DParacrystal->lattice().length1(); // 1st lattice vector length
+ double l2 = m_interference2DParacrystal->lattice().length2(); // 2nd lattice vector length
+ double l_alpha = m_interference2DParacrystal->lattice().latticeAngle(); // angle between l1, l2
+ double l_xi = m_interference2DParacrystal->lattice().rotationAngle(); // angle between l1, x axis
double layer_size = m_sceneGeometry->layer_size();
// Estimate the limit n1 and n2 of the integer multiple j and i of the lattice vectors required
@@ -78,10 +75,10 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
size_t index_pl2 = 0; // index for particles along +l2
size_t index_ml2 = 0; // index for particles along -l2
- // positions of 2*n1+1 particles situated ONLY along the l1 lattice vector axis (both +/- axes)
- // wrt origin (reference particle) are stored in j = 1...2*n1 indices of lattice_positions
+ // positions of 2*n1+1 particles situated ONLY along the l1 axis (both +/- axes)
+ // wrt origin (reference particle) are stored in j = 1,2,3,...2*n1 indices of lattice_positions
for (int j = 1; j <= 2*n1; ++j) {
- // particles located along +l1 (store every odd i index of lattice_positions)
+ // store particles along +l1 every odd i (e.g. 1,3,5...) index of lattice_positions
index_pl1 = 0;
if (j - 2 > 0)
index_pl1 = static_cast<size_t>(j - 2);
@@ -92,12 +89,12 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
lattice_positions[static_cast<size_t>(j)][0] =
lattice_positions[index_pl1][0] + l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
lattice_positions[static_cast<size_t>(j)][1] =
lattice_positions[index_pl1][1] + l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
// particles located along -l1 (store every even i index of lattice_positions)
++j;
@@ -112,12 +109,12 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
lattice_positions[static_cast<size_t>(j)][0] =
lattice_positions[index_ml1][0] - l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
lattice_positions[static_cast<size_t>(j)][1] =
lattice_positions[index_ml1][1] - l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
}
// positions of 2*n2+1 particles situated ONLY along the l2 lattice vector axis (both +/- axes)
@@ -134,12 +131,12 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
lattice_positions[static_cast<size_t>(i*(2*n1+1))][0] =
lattice_positions[index_pl2][0] + l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1))][1] =
lattice_positions[index_pl2][1] + l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
// particles located along -l2 (store every (even i)*(2*n1+1) index of lattice_positions)
++i;
@@ -154,12 +151,12 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
lattice_positions[static_cast<size_t>(i*(2*n1+1))][0] =
lattice_positions[index_ml2][0] - l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1))][1] =
lattice_positions[index_ml2][1] - l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
}
@@ -181,11 +178,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf1 = sampleXYpdf1.second;
x_pl1 = lattice_positions[index_pl1][0] + l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
y_pl1 = lattice_positions[index_pl1][1] + l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
index_pl2 = static_cast<size_t>(j);
if (i - 2 > 0)
@@ -196,11 +193,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf2 = sampleXYpdf2.second;
x_pl2 = lattice_positions[index_pl2][0] + l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
y_pl2 = lattice_positions[index_pl2][1] + l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][0] = (x_pl1 + x_pl2) / 2;
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][1] = (y_pl1 + y_pl2) / 2;
@@ -217,11 +214,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf1 = sampleXYpdf1.second;
x_ml1 = lattice_positions[index_ml1][0] - l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
y_ml1 = lattice_positions[index_ml1][1] - l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
index_pl2 = static_cast<size_t>(j); // index for particles along +l2
@@ -233,11 +230,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf2 = sampleXYpdf2.second;
x_pl2 = lattice_positions[index_pl2][0] + l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
y_pl2 = lattice_positions[index_pl2][1] + l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][0] = (x_ml1 + x_pl2) / 2;
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][1] = (y_ml1 + y_pl2) / 2;
@@ -254,11 +251,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf1 = sampleXYpdf1.second;
x_pl1 = lattice_positions[index_pl1][0] + l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
y_pl1 = lattice_positions[index_pl1][1] + l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
index_ml2 = static_cast<size_t>(j);
if (i - 2 > 0)
@@ -269,11 +266,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf2 = sampleXYpdf2.second;
x_ml2 = lattice_positions[index_ml2][0] - l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
y_ml2 = lattice_positions[index_ml2][1] - l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][0] = (x_pl1 + x_ml2) / 2;
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][1] = (y_pl1 + y_ml2) / 2;
@@ -290,11 +287,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf1 = sampleXYpdf1.second;
x_ml1 = lattice_positions[index_ml1][0] - l1 * std::cos(l_xi) +
- offset_x_pdf1*std::cos(gamma_pdf1) +
- offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1); // x coordinate
+ offset_x_pdf1*std::cos(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::cos(M_PI_2 + gamma_pdf1 + l_xi); // x coordinate
y_ml1 = lattice_positions[index_ml1][1] - l1 * std::sin(l_xi) +
- offset_x_pdf1*std::sin(gamma_pdf1) +
- offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1); // y coordinate
+ offset_x_pdf1*std::sin(gamma_pdf1 + l_xi) +
+ offset_y_pdf1*std::sin(M_PI_2 + gamma_pdf1 + l_xi); // y coordinate
index_ml2 = static_cast<size_t>(j); // index for particles along +l2
@@ -306,11 +303,11 @@ std::vector<std::vector<double> > RealSpace2DParacrystalUtils::compute2DParacrys
offset_y_pdf2 = sampleXYpdf2.second;
x_ml2 = lattice_positions[index_ml2][0] - l2 * std::cos(l_alpha + l_xi) +
- offset_x_pdf2*std::cos(gamma_pdf2) +
- offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2); // x coordinate
+ offset_x_pdf2*std::cos(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::cos(M_PI_2 + gamma_pdf2 + l_xi); // x coordinate
y_ml2 = lattice_positions[index_ml2][1] - l2 * std::sin(l_alpha + l_xi) +
- offset_x_pdf2*std::sin(gamma_pdf2) +
- offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2); // y coordinate
+ offset_x_pdf2*std::sin(gamma_pdf2 + l_xi) +
+ offset_y_pdf2*std::sin(M_PI_2 + gamma_pdf2 + l_xi); // y coordinate
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][0] = (x_ml1 + x_ml2) / 2;
lattice_positions[static_cast<size_t>(i*(2*n1+1)+j)][1] = (y_ml1 + y_ml2) / 2;
--
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