From 6f1a111bab5798a4289187bdf747c3be4e176534 Mon Sep 17 00:00:00 2001
From: Scott Tincman <sctincman@gmail.com>
Date: Wed, 19 Mar 2014 14:38:21 -0400
Subject: [PATCH 29/58] Fix compilation on ARM, where qreal can be defined as a
float
Change-Id: I0121913aa03b3a449bfa45b9337bc4c5f586799b
---
libavogadro/src/extensions/qtaim/qtaimcubature.cpp | 78 +++++++++++-----------
1 file changed, 39 insertions(+), 39 deletions(-)
diff --git a/libavogadro/src/extensions/qtaim/qtaimcubature.cpp b/libavogadro/src/extensions/qtaim/qtaimcubature.cpp
index ce15190..439250f 100644
--- a/libavogadro/src/extensions/qtaim/qtaimcubature.cpp
+++ b/libavogadro/src/extensions/qtaim/qtaimcubature.cpp
@@ -1150,17 +1150,17 @@ QList<QVariant> QTAIMEvaluateProperty(QList<QVariant> variantList)
*/
qint64 counter=0;
QString wfnFileName=variantList.at(counter).toString(); counter++;
- qreal x0=variantList.at(counter).toDouble(); counter++;
- qreal y0=variantList.at(counter).toDouble(); counter++;
- qreal z0=variantList.at(counter).toDouble(); counter++;
+ qreal x0=variantList.at(counter).toReal(); counter++;
+ qreal y0=variantList.at(counter).toReal(); counter++;
+ qreal z0=variantList.at(counter).toReal(); counter++;
qint64 nncp=variantList.at(counter).toLongLong(); counter++;
QList<QVector3D> ncpList;
for( qint64 n=0 ; n < nncp ; ++n )
{
- qreal x=variantList.at(counter).toDouble(); counter++;
- qreal y=variantList.at(counter).toDouble(); counter++;
- qreal z=variantList.at(counter).toDouble(); counter++;
+ qreal x=variantList.at(counter).toReal(); counter++;
+ qreal y=variantList.at(counter).toReal(); counter++;
+ qreal z=variantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1189,7 +1189,7 @@ QList<QVariant> QTAIMEvaluateProperty(QList<QVariant> variantList)
QList<QVariant> valueList;
- double initialElectronDensity=eval.electronDensity( Eigen::Vector3d(x0,y0,z0) );
+ qreal initialElectronDensity=eval.electronDensity( Matrix<qreal,3,1>(x0,y0,z0) );
// if less than some small value, then return zero for all integrands.
if( initialElectronDensity < 1.e-5 )
@@ -1254,7 +1254,7 @@ QList<QVariant> QTAIMEvaluateProperty(QList<QVariant> variantList)
{
if( modeList.at(m) == 0 )
{
- valueList.append(eval.electronDensity( Eigen::Vector3d(x0,y0,z0) ));
+ valueList.append(eval.electronDensity( Matrix<qreal,3,1>(x0,y0,z0) ));
}
else
{
@@ -1292,9 +1292,9 @@ void property_v(unsigned int /* ndim */, unsigned int npts, const double *xyz, v
QList<QVector3D> ncpList;
for( qint64 i=0 ; i < nncp ; ++i )
{
- qreal x=paramVariantList.at(counter).toDouble(); counter++;
- qreal y=paramVariantList.at(counter).toDouble(); counter++;
- qreal z=paramVariantList.at(counter).toDouble(); counter++;
+ qreal x=paramVariantList.at(counter).toReal(); counter++;
+ qreal y=paramVariantList.at(counter).toReal(); counter++;
+ qreal z=paramVariantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1419,17 +1419,17 @@ QList<QVariant> QTAIMEvaluatePropertyRTP(QList<QVariant> variantList)
*/
qint64 counter=0;
QString wfnFileName=variantList.at(counter).toString(); counter++;
- qreal r0=variantList.at(counter).toDouble(); counter++;
- qreal t0=variantList.at(counter).toDouble(); counter++;
- qreal p0=variantList.at(counter).toDouble(); counter++;
+ qreal r0=variantList.at(counter).toReal(); counter++;
+ qreal t0=variantList.at(counter).toReal(); counter++;
+ qreal p0=variantList.at(counter).toReal(); counter++;
qint64 nncp=variantList.at(counter).toLongLong(); counter++;
QList<QVector3D> ncpList;
for( qint64 n=0 ; n < nncp ; ++n )
{
- qreal x=variantList.at(counter).toDouble(); counter++;
- qreal y=variantList.at(counter).toDouble(); counter++;
- qreal z=variantList.at(counter).toDouble(); counter++;
+ qreal x=variantList.at(counter).toReal(); counter++;
+ qreal y=variantList.at(counter).toReal(); counter++;
+ qreal z=variantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1472,7 +1472,7 @@ QList<QVariant> QTAIMEvaluatePropertyRTP(QList<QVariant> variantList)
QList<QVariant> valueList;
- double initialElectronDensity=eval.electronDensity( Eigen::Vector3d(x0,y0,z0) );
+ qreal initialElectronDensity=eval.electronDensity( Matrix<qreal,3,1>(x0,y0,z0) );
// if less than some small value, then return zero for all integrands.
if( initialElectronDensity < 1.e-5 )
@@ -1540,7 +1540,7 @@ QList<QVariant> QTAIMEvaluatePropertyRTP(QList<QVariant> variantList)
{
valueList.append(
- r0*r0*sin(t0)*eval.electronDensity( Eigen::Vector3d(x0,y0,z0) )
+ r0*r0*sin(t0)*eval.electronDensity( Matrix<qreal,3,1>(x0,y0,z0) )
);
}
@@ -1580,9 +1580,9 @@ void property_v_rtp(unsigned int /* ndim */, unsigned int npts, const double *xy
QList<QVector3D> ncpList;
for( qint64 i=0 ; i < nncp ; ++i )
{
- qreal x=paramVariantList.at(counter).toDouble(); counter++;
- qreal y=paramVariantList.at(counter).toDouble(); counter++;
- qreal z=paramVariantList.at(counter).toDouble(); counter++;
+ qreal x=paramVariantList.at(counter).toReal(); counter++;
+ qreal y=paramVariantList.at(counter).toReal(); counter++;
+ qreal z=paramVariantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1691,16 +1691,16 @@ void property_r(unsigned int ndim, const double *xyz, void *param,
QString wfnFileName=paramVariantList.at(counter).toString(); counter++;
qreal r=xyz[0];
- qreal t=paramVariantList.at(counter).toDouble(); counter++;
- qreal p=paramVariantList.at(counter).toDouble(); counter++;
+ qreal t=paramVariantList.at(counter).toReal(); counter++;
+ qreal p=paramVariantList.at(counter).toReal(); counter++;
qint64 nncp=paramVariantList.at(counter).toLongLong(); counter++;
QList<QVector3D> ncpList;
for( qint64 i=0 ; i < nncp ; ++i )
{
- qreal x=paramVariantList.at(counter).toDouble(); counter++;
- qreal y=paramVariantList.at(counter).toDouble(); counter++;
- qreal z=paramVariantList.at(counter).toDouble(); counter++;
+ qreal x=paramVariantList.at(counter).toReal(); counter++;
+ qreal y=paramVariantList.at(counter).toReal(); counter++;
+ qreal z=paramVariantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1738,7 +1738,7 @@ void property_r(unsigned int ndim, const double *xyz, void *param,
{
if( mode==0 )
{
- fval[m]=r*r*eval.electronDensity( Eigen::Vector3d(x,y,z) );
+ fval[m]=r*r*eval.electronDensity( Matrix<qreal,3,1>(x,y,z) );
}
}
@@ -1771,16 +1771,16 @@ QList<QVariant> QTAIMEvaluatePropertyTP(QList<QVariant> variantList)
*/
qint64 counter=0;
QString wfnFileName=variantList.at(counter).toString(); counter++;
- qreal t=variantList.at(counter).toDouble(); counter++;
- qreal p=variantList.at(counter).toDouble(); counter++;
+ qreal t=variantList.at(counter).toReal(); counter++;
+ qreal p=variantList.at(counter).toReal(); counter++;
qint64 nncp=variantList.at(counter).toLongLong(); counter++;
QList<QVector3D> ncpList;
for( qint64 n=0 ; n < nncp ; ++n )
{
- qreal x=variantList.at(counter).toDouble(); counter++;
- qreal y=variantList.at(counter).toDouble(); counter++;
- qreal z=variantList.at(counter).toDouble(); counter++;
+ qreal x=variantList.at(counter).toReal(); counter++;
+ qreal y=variantList.at(counter).toReal(); counter++;
+ qreal z=variantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
@@ -1846,7 +1846,7 @@ QList<QVariant> QTAIMEvaluatePropertyTP(QList<QVariant> variantList)
qreal x=xyzl(0);
qreal y=xyzl(1);
qreal z=xyzl(2);
- qreal leftElectronDensity=eval.electronDensity( Eigen::Vector3d(x,y,z) );
+ qreal leftElectronDensity=eval.electronDensity( Matrix<qreal,3,1>(x,y,z) );
if( leftElectronDensity < 1.e-5 )
{
@@ -1896,7 +1896,7 @@ QList<QVariant> QTAIMEvaluatePropertyTP(QList<QVariant> variantList)
x=xyzr(0);
y=xyzr(1);
z=xyzr(2);
- qreal rightElectronDensity=eval.electronDensity( Eigen::Vector3d(x,y,z) );
+ qreal rightElectronDensity=eval.electronDensity( Matrix<qreal,3,1>(x,y,z) );
if( rightElectronDensity < 1.e-5 )
{
@@ -1959,7 +1959,7 @@ QList<QVariant> QTAIMEvaluatePropertyTP(QList<QVariant> variantList)
x=xyzm(0);
y=xyzm(1);
z=xyzm(2);
- qreal midpointElectronDensity=eval.electronDensity( Eigen::Vector3d(x,y,z) );
+ qreal midpointElectronDensity=eval.electronDensity( Matrix<qreal,3,1>(x,y,z) );
if( midpointElectronDensity < 1.e-5 )
{
@@ -2092,9 +2092,9 @@ void property_v_tp(unsigned int /* ndim */, unsigned int npts, const double *xyz
QList<QVector3D> ncpList;
for( qint64 i=0 ; i < nncp ; ++i )
{
- qreal x=paramVariantList.at(counter).toDouble(); counter++;
- qreal y=paramVariantList.at(counter).toDouble(); counter++;
- qreal z=paramVariantList.at(counter).toDouble(); counter++;
+ qreal x=paramVariantList.at(counter).toReal(); counter++;
+ qreal y=paramVariantList.at(counter).toReal(); counter++;
+ qreal z=paramVariantList.at(counter).toReal(); counter++;
ncpList.append(QVector3D(x,y,z));
}
--
1.9.3