Corrected expressions for the 1DLattice.

App/src/TestInfLongBox.cpp

@@ -212,7 +212,7 @@ ISample *TestInfLongBox::TestSampleBuilder::buildSample() const
     lattice_params.m_length=m_lattice_length;
     lattice_params.m_xi = m_xi;
     InterferenceFunction1DLattice *p_interference_function = new InterferenceFunction1DLattice(lattice_params);
-    FTDistribution1DCauchy pdf(3000.0*Units::nanometer);
+    FTDistribution1DCauchy pdf(10e6*Units::nanometer);
     p_interference_function->setProbabilityDistribution(pdf);
 
     //IInterferenceFunction *p_interference_function = new InterferenceFunctionNone();

Core/Algorithms/src/FTDistributions.cpp

@@ -62,7 +62,7 @@ FTDistribution1DGauss* FTDistribution1DGauss::clone() const
 double FTDistribution1DGauss::evaluate(double q) const
 {
     double sum_sq = q*q*m_omega*m_omega;
-    return std::exp(-sum_sq/4.0)/2.0;
+    return std::exp(-sum_sq/4.0);
 }
 
 FTDistribution1DVoigt::FTDistribution1DVoigt(double omega, double eta)

Core/FormFactors/src/FormFactorInfLongBox.cpp

@@ -65,6 +65,8 @@ complex_t FormFactorInfLongBox::evaluate_for_q(const cvector_t& q) const
 }
 
 double FormFactorInfLongBox::getVolume() const {
-    return 2*M_PI*m_height*m_width;
-
+    // return 2*M_PI*m_height*m_width;
+    // volume of the infinite object is infinite
+    throw NotImplementedException(
+        "FormFactorInfLongBox::getVolume() -> Error: not implemented exception. Volume of the infinite object is infinite.");
 }

Core/Samples/inc/InterferenceFunction1DLattice.h

@@ -49,7 +49,7 @@ private:
     //! Registers some class members for later access via parameter pool
     virtual void init_parameters();
 
-    double m_asx; //!< x coordinates of a*
+//    double m_asx; //!< x coordinates of a*
     double m_prefactor; //!< fixed prefactor for normalization
     int m_na; //!< determines the number of reciprocal lattice points to use
 };

Core/Samples/src/InterferenceFunction1DLattice.cpp

@@ -49,7 +49,7 @@ void InterferenceFunction1DLattice::setProbabilityDistribution(
 //     initialize_calc_factors(omega):
     m_prefactor = 2.0*M_PI*omega;
     double qa_max = (m_lattice_params.m_length/(2*M_PI))*nmax/omega;
-    m_na = (int) std::abs(qa_max) + 0.5;
+    m_na = (int) (std::abs(qa_max) + 0.5);
 }
 
 double InterferenceFunction1DLattice::evaluate(const cvector_t& q) const
@@ -64,18 +64,19 @@ double InterferenceFunction1DLattice::evaluate(const cvector_t& q) const
     double qx_frac;
     double xi = m_lattice_params.m_xi;
     double a = m_lattice_params.m_length;
+    double a_rec = 2*M_PI/a;
 
     // rotate the q vector to xi angle
     // so that qx_prime is along the a axis of lattice
     double qx_prime = qxr*std::cos(xi) + qyr*std::sin(xi);
 
     // calculate reciprocal vector fraction
-    int qa_int = (int) a*qx_prime/(2*M_PI);
-    qx_frac = qx_prime - qa_int*m_asx;
+    int qa_int = (int) qx_prime/a_rec;
+    qx_frac = qx_prime - qa_int*a_rec;
 
     for (int i=-m_na-1; i<m_na+2; ++i)
     {        
-        double qx = qx_frac + i*m_asx;
+        double qx = qx_frac + i*a_rec;
         result += mp_pdf->evaluate(qx);
     }
     return m_prefactor*result;

Tests/UnitTests/TestCore/FTDistributionsTest.h

@@ -46,7 +46,7 @@ TEST_F(FTDistributionsTest, FTDistribution1DGaussConstructor)
     IFTDistribution1D * iftd1D = new FTDistribution1DGauss(1.0);
     EXPECT_EQ(1.0, iftd1D->getOmega());
     EXPECT_EQ("1DDistributionGauss", iftd1D->getName());
-    EXPECT_NEAR(0.4950249, iftd1D->evaluate(0.2),0.000001);
+    EXPECT_NEAR(2*0.4950249, iftd1D->evaluate(0.2),0.000001);
 
     iftd1D->setOmega(3.0);
     EXPECT_EQ(3.0, iftd1D->getOmega());
@@ -61,7 +61,7 @@ TEST_F(FTDistributionsTest, FTDistribution1DGaussClone)
 
     EXPECT_EQ(-5.0, iftd1DClone->getOmega());
     EXPECT_EQ("1DDistributionGauss", iftd1DClone->getName());
-    EXPECT_NEAR(0.389400, iftd1DClone->evaluate(0.2),0.000001);
+    EXPECT_NEAR(2*0.389400, iftd1DClone->evaluate(0.2),0.000001);
 
     delete iftd1D;
     delete iftd1DClone;

Tests/UnitTests/TestCore/FormFactorTest.h

@@ -561,14 +561,14 @@ TEST_F(FormFactorTest, InfLongBox)
     EXPECT_DOUBLE_EQ(100./M_PI, ilbox.getWidth());
     EXPECT_EQ(15., ilbox.getHeight());
     EXPECT_DOUBLE_EQ(50./M_PI, ilbox.getRadius());
-    EXPECT_DOUBLE_EQ(volume, ilbox.getVolume());
+    EXPECT_THROW(ilbox.getVolume(), NotImplementedException);
     EXPECT_EQ(2, ilbox.getNumberOfStochasticParameters());
 
     FormFactorInfLongBox *ilboxclone = ilbox.clone();
     EXPECT_EQ("FormFactorInfLongBox",ilboxclone->getName());
     EXPECT_DOUBLE_EQ(100./M_PI, ilboxclone->getWidth());
     EXPECT_EQ(15., ilboxclone->getHeight());
-    EXPECT_DOUBLE_EQ(volume, ilboxclone->getVolume());
+    EXPECT_THROW(ilboxclone->getVolume(),NotImplementedException);
     EXPECT_EQ(2, ilboxclone->getNumberOfStochasticParameters());
     EXPECT_DOUBLE_EQ(50./M_PI, ilboxclone->getRadius());
 }