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