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Scientific Software
Takin
mag-core
Commits
4ce73fd5
Verified
Commit
4ce73fd5
authored
Apr 19, 2021
by
Tobias WEBER
Browse files
adapted to tlibs2 changes
parent
bf0be92f
Changes
7
Show whitespace changes
Inline
Side-by-side
tools/magstructfact/magstructfact.cpp
View file @
4ce73fd5
...
...
@@ -42,11 +42,8 @@ namespace consts = si::constants;
#include "tlibs2/libs/algos.h"
#include "tlibs2/libs/helper.h"
//using namespace tl2;
using
namespace
tl2_ops
;
constexpr
t_real
g_eps
=
1e-6
;
constexpr
int
g_prec
=
6
;
...
...
@@ -535,7 +532,7 @@ MagStructFactDlg::MagStructFactDlg(QWidget* pParent) : QDialog{pParent},
m_dlgPlot
=
new
QDialog
(
this
);
m_dlgPlot
->
setWindowTitle
(
"Unit Cell"
);
m_plot
=
std
::
make_shared
<
GlPlot
>
(
this
);
m_plot
=
std
::
make_shared
<
tl2
::
GlPlot
>
(
this
);
m_plot
->
GetRenderer
()
->
SetLight
(
0
,
tl2
::
create
<
t_vec3_gl
>
({
5
,
5
,
5
}));
m_plot
->
GetRenderer
()
->
SetLight
(
1
,
tl2
::
create
<
t_vec3_gl
>
({
-
5
,
-
5
,
-
5
}));
m_plot
->
GetRenderer
()
->
SetCoordMax
(
1.
);
...
...
@@ -563,10 +560,10 @@ MagStructFactDlg::MagStructFactDlg(QWidget* pParent) : QDialog{pParent},
grid
->
addWidget
(
m_status3D
,
2
,
0
,
1
,
2
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
AfterGLInitialisation
,
this
,
&
MagStructFactDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MagStructFactDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
MouseDown
,
this
,
&
MagStructFactDlg
::
PlotMouseDown
);
//connect(m_plot.get(), &GlPlot::MouseUp, this, [this](bool left, bool mid, bool right) {});
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
AfterGLInitialisation
,
this
,
&
MagStructFactDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
tl2
::
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MagStructFactDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
MouseDown
,
this
,
&
MagStructFactDlg
::
PlotMouseDown
);
//connect(m_plot.get(), &
tl2::
GlPlot::MouseUp, this, [this](bool left, bool mid, bool right) {});
connect
(
comboCoordSys
,
static_cast
<
void
(
QComboBox
::*
)(
int
)
>
(
&
QComboBox
::
currentIndexChanged
),
this
,
[
this
](
int
val
)
{
if
(
this
->
m_plot
)
...
...
@@ -595,7 +592,7 @@ MagStructFactDlg::MagStructFactDlg(QWidget* pParent) : QDialog{pParent},
m_dlgPlotSC
=
new
QDialog
(
this
);
m_dlgPlotSC
->
setWindowTitle
(
"Super Cell"
);
m_plotSC
=
std
::
make_shared
<
GlPlot
>
(
this
);
m_plotSC
=
std
::
make_shared
<
tl2
::
GlPlot
>
(
this
);
m_plotSC
->
GetRenderer
()
->
SetLight
(
0
,
tl2
::
create
<
t_vec3_gl
>
({
5
,
5
,
5
}));
m_plotSC
->
GetRenderer
()
->
SetLight
(
1
,
tl2
::
create
<
t_vec3_gl
>
({
-
5
,
-
5
,
-
5
}));
m_plotSC
->
GetRenderer
()
->
SetCoordMax
(
1.
);
...
...
@@ -623,10 +620,10 @@ MagStructFactDlg::MagStructFactDlg(QWidget* pParent) : QDialog{pParent},
grid
->
addWidget
(
m_status3DSC
,
2
,
0
,
1
,
2
);
connect
(
m_plotSC
.
get
(),
&
GlPlot
::
AfterGLInitialisation
,
this
,
&
MagStructFactDlg
::
AfterGLInitialisationSC
);
connect
(
m_plotSC
->
GetRenderer
(),
&
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MagStructFactDlg
::
PickerIntersectionSC
);
//connect(m_plotSC.get(), &GlPlot::MouseDown, this, [this](bool left, bool mid, bool right) {});
//connect(m_plotSC.get(), &GlPlot::MouseUp, this, [this](bool left, bool mid, bool right) {});
connect
(
m_plotSC
.
get
(),
&
tl2
::
GlPlot
::
AfterGLInitialisation
,
this
,
&
MagStructFactDlg
::
AfterGLInitialisationSC
);
connect
(
m_plotSC
->
GetRenderer
(),
&
tl2
::
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MagStructFactDlg
::
PickerIntersectionSC
);
//connect(m_plotSC.get(), &
tl2::
GlPlot::MouseDown, this, [this](bool left, bool mid, bool right) {});
//connect(m_plotSC.get(), &
tl2::
GlPlot::MouseUp, this, [this](bool left, bool mid, bool right) {});
connect
(
comboCoordSys
,
static_cast
<
void
(
QComboBox
::*
)(
int
)
>
(
&
QComboBox
::
currentIndexChanged
),
this
,
[
this
](
int
val
)
{
if
(
this
->
m_plotSC
)
...
...
@@ -2181,7 +2178,7 @@ void MagStructFactDlg::closeEvent(QCloseEvent *evt)
int
main
(
int
argc
,
char
**
argv
)
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
QApplication
::
addLibraryPath
(
QString
(
"."
)
+
QDir
::
separator
()
+
"qtplugins"
);
...
...
@@ -2204,7 +2201,7 @@ int main(int argc, char** argv)
*/
bool
init
()
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
return
true
;
...
...
tools/magstructfact/magstructfact.h
View file @
4ce73fd5
...
...
@@ -38,6 +38,12 @@ using t_vec_cplx = tl2::vec<t_cplx, std::vector>;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
using
t_mat_cplx
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
using
t_real_gl
=
tl2
::
t_real_gl
;
using
t_vec2_gl
=
tl2
::
t_vec2_gl
;
using
t_vec3_gl
=
tl2
::
t_vec3_gl
;
using
t_vec_gl
=
tl2
::
t_vec_gl
;
using
t_mat_gl
=
tl2
::
t_mat_gl
;
struct
NuclPos
{
...
...
@@ -66,14 +72,14 @@ protected:
// unit cell view
QDialog
*
m_dlgPlot
=
nullptr
;
std
::
shared_ptr
<
GlPlot
>
m_plot
;
std
::
shared_ptr
<
tl2
::
GlPlot
>
m_plot
;
std
::
size_t
m_sphere
=
0
;
std
::
size_t
m_arrow
=
0
;
QLabel
*
m_status3D
=
nullptr
;
// super cell view
QDialog
*
m_dlgPlotSC
=
nullptr
;
std
::
shared_ptr
<
GlPlot
>
m_plotSC
;
std
::
shared_ptr
<
tl2
::
GlPlot
>
m_plotSC
;
std
::
size_t
m_sphereSC
=
0
;
std
::
size_t
m_arrowSC
=
0
;
QLabel
*
m_status3DSC
=
nullptr
;
...
...
tools/moldyn/moldyn.cpp
View file @
4ce73fd5
...
...
@@ -219,7 +219,7 @@ MolDynDlg::MolDynDlg(QWidget* pParent) : QMainWindow{pParent},
// plot widget
{
m_plot
=
new
GlPlot
(
this
);
m_plot
=
new
tl2
::
GlPlot
(
this
);
m_plot
->
setSizePolicy
(
QSizePolicy
{
QSizePolicy
::
Expanding
,
QSizePolicy
::
Expanding
});
m_plot
->
GetRenderer
()
->
EnablePicker
(
1
);
...
...
@@ -229,12 +229,12 @@ MolDynDlg::MolDynDlg(QWidget* pParent) : QMainWindow{pParent},
m_plot
->
GetRenderer
()
->
SetCamBase
(
tl2
::
create
<
t_mat_gl
>
({
1
,
0
,
0
,
0
,
0
,
0
,
1
,
0
,
0
,
-
1
,
0
,
-
1.5
,
0
,
0
,
0
,
1
}),
tl2
::
create
<
t_vec_gl
>
({
1
,
0
,
0
,
0
}),
tl2
::
create
<
t_vec_gl
>
({
0
,
0
,
1
,
0
}));
connect
(
m_plot
,
&
GlPlot
::
AfterGLInitialisation
,
this
,
&
MolDynDlg
::
AfterGLInitialisation
);
connect
(
m_plot
,
&
GlPlot
::
GLInitialisationFailed
,
this
,
&
MolDynDlg
::
GLInitialisationFailed
);
connect
(
m_plot
->
GetRenderer
(),
&
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MolDynDlg
::
PickerIntersection
);
connect
(
m_plot
,
&
GlPlot
::
MouseDown
,
this
,
&
MolDynDlg
::
PlotMouseDown
);
connect
(
m_plot
,
&
GlPlot
::
MouseUp
,
this
,
&
MolDynDlg
::
PlotMouseUp
);
connect
(
m_plot
,
&
GlPlot
::
MouseClick
,
this
,
&
MolDynDlg
::
PlotMouseClick
);
connect
(
m_plot
,
&
tl2
::
GlPlot
::
AfterGLInitialisation
,
this
,
&
MolDynDlg
::
AfterGLInitialisation
);
connect
(
m_plot
,
&
tl2
::
GlPlot
::
GLInitialisationFailed
,
this
,
&
MolDynDlg
::
GLInitialisationFailed
);
connect
(
m_plot
->
GetRenderer
(),
&
tl2
::
GlPlotRenderer
::
PickerIntersection
,
this
,
&
MolDynDlg
::
PickerIntersection
);
connect
(
m_plot
,
&
tl2
::
GlPlot
::
MouseDown
,
this
,
&
MolDynDlg
::
PlotMouseDown
);
connect
(
m_plot
,
&
tl2
::
GlPlot
::
MouseUp
,
this
,
&
MolDynDlg
::
PlotMouseUp
);
connect
(
m_plot
,
&
tl2
::
GlPlot
::
MouseClick
,
this
,
&
MolDynDlg
::
PlotMouseClick
);
//this->setCentralWidget(m_plot);
pMainGrid
->
addWidget
(
m_plot
,
0
,
0
,
1
,
9
);
...
...
@@ -1436,7 +1436,7 @@ void MolDynDlg::keyPressEvent(QKeyEvent *evt)
int
main
(
int
argc
,
char
**
argv
)
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
0
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
0
);
tl2
::
set_locales
();
QApplication
::
addLibraryPath
(
QString
(
"."
)
+
QDir
::
separator
()
+
"qtplugins"
);
...
...
tools/moldyn/moldyn.h
View file @
4ce73fd5
...
...
@@ -30,6 +30,12 @@ using t_real = double;
using
t_vec
=
tl2
::
vec
<
t_real
,
std
::
vector
>
;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
using
t_real_gl
=
tl2
::
t_real_gl
;
using
t_vec2_gl
=
tl2
::
t_vec2_gl
;
using
t_vec3_gl
=
tl2
::
t_vec3_gl
;
using
t_vec_gl
=
tl2
::
t_vec_gl
;
using
t_mat_gl
=
tl2
::
t_mat_gl
;
/**
* atom indices for convex hull calculation
...
...
@@ -110,7 +116,7 @@ protected:
QDoubleSpinBox
*
m_spinScale
=
nullptr
;
QMenu
*
m_atomContextMenu
=
nullptr
;
GlPlot
*
m_plot
=
nullptr
;
tl2
::
GlPlot
*
m_plot
=
nullptr
;
std
::
size_t
m_sphere
=
0
;
std
::
vector
<
std
::
size_t
>
m_sphereHandles
;
...
...
tools/pol/pol.cpp
View file @
4ce73fd5
...
...
@@ -39,6 +39,12 @@ using t_vec = tl2::vec<t_cplx, std::vector>;
using
t_mat
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
using
t_matvec
=
std
::
vector
<
t_mat
>
;
using
t_real_gl
=
tl2
::
t_real_gl
;
using
t_vec2_gl
=
tl2
::
t_vec2_gl
;
using
t_vec3_gl
=
tl2
::
t_vec3_gl
;
using
t_vec_gl
=
tl2
::
t_vec_gl
;
using
t_mat_gl
=
tl2
::
t_mat_gl
;
// ----------------------------------------------------------------------------
class
PolDlg
:
public
QDialog
...
...
@@ -47,7 +53,7 @@ private:
QSettings
m_sett
{
"takin"
,
"pol"
};
int
m_prec
=
6
;
// precision
std
::
shared_ptr
<
GlPlot
>
m_plot
{
std
::
make_shared
<
GlPlot
>
(
this
)};
std
::
shared_ptr
<
tl2
::
GlPlot
>
m_plot
{
std
::
make_shared
<
tl2
::
GlPlot
>
(
this
)};
QLabel
*
m_labelGlInfos
[
4
]
=
{
nullptr
,
nullptr
,
nullptr
,
nullptr
};
QLineEdit
*
m_editNRe
=
new
QLineEdit
(
"0"
,
this
);
...
...
@@ -307,11 +313,11 @@ public:
m_editPfX
,
m_editPfY
,
m_editPfZ
})
connect
(
edit
,
&
QLineEdit
::
textEdited
,
this
,
&
PolDlg
::
CalcPol
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
AfterGLInitialisation
,
this
,
&
PolDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
GlPlotRenderer
::
PickerIntersection
,
this
,
&
PolDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
AfterGLInitialisation
,
this
,
&
PolDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
tl2
::
GlPlotRenderer
::
PickerIntersection
,
this
,
&
PolDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
MouseDown
,
this
,
&
PolDlg
::
MouseDown
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
MouseUp
,
this
,
&
PolDlg
::
MouseUp
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
MouseDown
,
this
,
&
PolDlg
::
MouseDown
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
MouseUp
,
this
,
&
PolDlg
::
MouseUp
);
auto
pGrid
=
new
QGridLayout
(
plotpanel
);
...
...
@@ -529,7 +535,7 @@ public:
int
main
(
int
argc
,
char
**
argv
)
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
QApplication
::
addLibraryPath
(
QString
(
"."
)
+
QDir
::
separator
()
+
"qtplugins"
);
...
...
@@ -552,7 +558,7 @@ int main(int argc, char** argv)
*/
bool
init
()
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
return
true
;
...
...
tools/structfact/structfact.cpp
View file @
4ce73fd5
...
...
@@ -38,7 +38,6 @@ namespace pt = boost::property_tree;
#include "tlibs2/libs/helper.h"
//using namespace tl2;
using
namespace
tl2_ops
;
...
...
@@ -475,7 +474,7 @@ StructFactDlg::StructFactDlg(QWidget* pParent) : QDialog{pParent},
m_dlgPlot
=
new
QDialog
(
this
);
m_dlgPlot
->
setWindowTitle
(
"Unit Cell - 3D View"
);
m_plot
=
std
::
make_shared
<
GlPlot
>
(
this
);
m_plot
=
std
::
make_shared
<
tl2
::
GlPlot
>
(
this
);
m_plot
->
GetRenderer
()
->
SetLight
(
0
,
tl2
::
create
<
t_vec3_gl
>
({
5
,
5
,
5
}));
m_plot
->
GetRenderer
()
->
SetLight
(
1
,
tl2
::
create
<
t_vec3_gl
>
({
-
5
,
-
5
,
-
5
}));
m_plot
->
GetRenderer
()
->
SetCoordMax
(
1.
);
...
...
@@ -503,10 +502,10 @@ StructFactDlg::StructFactDlg(QWidget* pParent) : QDialog{pParent},
grid
->
addWidget
(
m_status3D
,
2
,
0
,
1
,
2
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
AfterGLInitialisation
,
this
,
&
StructFactDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
GlPlotRenderer
::
PickerIntersection
,
this
,
&
StructFactDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
MouseDown
,
this
,
&
StructFactDlg
::
PlotMouseDown
);
connect
(
m_plot
.
get
(),
&
GlPlot
::
MouseUp
,
this
,
&
StructFactDlg
::
PlotMouseUp
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
AfterGLInitialisation
,
this
,
&
StructFactDlg
::
AfterGLInitialisation
);
connect
(
m_plot
->
GetRenderer
(),
&
tl2
::
GlPlotRenderer
::
PickerIntersection
,
this
,
&
StructFactDlg
::
PickerIntersection
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
MouseDown
,
this
,
&
StructFactDlg
::
PlotMouseDown
);
connect
(
m_plot
.
get
(),
&
tl2
::
GlPlot
::
MouseUp
,
this
,
&
StructFactDlg
::
PlotMouseUp
);
connect
(
comboCoordSys
,
static_cast
<
void
(
QComboBox
::*
)(
int
)
>
(
&
QComboBox
::
currentIndexChanged
),
this
,
[
this
](
int
val
)
{
if
(
this
->
m_plot
)
...
...
@@ -1946,7 +1945,7 @@ void StructFactDlg::closeEvent(QCloseEvent *evt)
int
main
(
int
argc
,
char
**
argv
)
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
QApplication
::
addLibraryPath
(
QString
(
"."
)
+
QDir
::
separator
()
+
"qtplugins"
);
...
...
@@ -1969,7 +1968,7 @@ int main(int argc, char** argv)
*/
bool
init
()
{
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_gl_format
(
1
,
_GL_MAJ_VER
,
_GL_MIN_VER
,
8
);
tl2
::
set_locales
();
return
true
;
...
...
tools/structfact/structfact.h
View file @
4ce73fd5
...
...
@@ -38,6 +38,12 @@ using t_vec_cplx = std::vector<t_cplx>;
using
t_mat
=
tl2
::
mat
<
t_real
,
std
::
vector
>
;
using
t_mat_cplx
=
tl2
::
mat
<
t_cplx
,
std
::
vector
>
;
using
t_real_gl
=
tl2
::
t_real_gl
;
using
t_vec2_gl
=
tl2
::
t_vec2_gl
;
using
t_vec3_gl
=
tl2
::
t_vec3_gl
;
using
t_vec_gl
=
tl2
::
t_vec_gl
;
using
t_mat_gl
=
tl2
::
t_mat_gl
;
struct
NuclPos
{
...
...
@@ -58,7 +64,7 @@ protected:
QMenuBar
*
m_menu
=
nullptr
;
QDialog
*
m_dlgPlot
=
nullptr
;
std
::
shared_ptr
<
GlPlot
>
m_plot
;
std
::
shared_ptr
<
tl2
::
GlPlot
>
m_plot
;
std
::
size_t
m_sphere
=
0
;
QLabel
*
m_labelGlInfos
[
4
]
=
{
nullptr
,
nullptr
,
nullptr
,
nullptr
};
QLabel
*
m_status3D
=
nullptr
;
...
...
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