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avogadro
arm-qreal-vs-double.patch
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File arm-qreal-vs-double.patch of Package avogadro
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(-) --- libavogadro/src/extensions/qtaim/qtaimcubature.cpp +++ 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
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