fixed missing header changes

Author: Rob

src/diffpy/srreal/JeongPeakWidth.hpp

@@ -49,13 +49,16 @@ class JeongPeakWidth : public DebyeWallerPeakWidth
         void setDelta2(double);
         const double& getQbroad() const;
         void setQbroad(double);
+        const double& getQbroad_new() const;
+        void setQbroad_new(double);
 
     private:
 
         // data
         double mdelta1;
         double mdelta2;
         double mqbroad;
+        double mqbroad_new;
 
         // methods
         double msdSharpeningRatio(const double& r) const;
@@ -71,6 +74,7 @@ class JeongPeakWidth : public DebyeWallerPeakWidth
             ar & mdelta1;
             ar & mdelta2;
             ar & mqbroad;
+            ar & mqbroad_new;
         }
 
 };

src/tests/TestPDFCalculator.hpp

@@ -55,15 +55,18 @@ class TestPDFCalculator : public CxxTest::TestSuite
             TS_ASSERT_EQUALS(0.0, jpw0->getDoubleAttr("delta1"));
             TS_ASSERT_EQUALS(0.0, jpw0->getDoubleAttr("delta2"));
             TS_ASSERT_EQUALS(0.0, jpw0->getDoubleAttr("qbroad"));
+            TS_ASSERT_EQUALS(0.0, jpw0->getDoubleAttr("qbroad_new"));
             JeongPeakWidth jpw;
             jpw.setDelta1(1.0);
             jpw.setDelta2(2.0);
             jpw.setQbroad(3.0);
+            jpw.setQbroad_new(4.0);
             mpdfc->setPeakWidthModel(jpw.clone());
             const PeakWidthModelPtr& jpw1 = mpdfc->getPeakWidthModel();
             TS_ASSERT_EQUALS(1.0, jpw1->getDoubleAttr("delta1"));
             TS_ASSERT_EQUALS(2.0, jpw1->getDoubleAttr("delta2"));
             TS_ASSERT_EQUALS(3.0, jpw1->getDoubleAttr("qbroad"));
+            TS_ASSERT_EQUALS(4.0, jpw1->getDoubleAttr("qbroad_new"));
         }
 
 

src/tests/TestPeakWidthModel.hpp

@@ -88,9 +88,11 @@ class TestPeakWidthModel : public CxxTest::TestSuite
             mcjepw->setDelta1(0.1);
             mcjepw->setDelta2(0.2);
             mcjepw->setQbroad(0.3);
+            mcjepw->setQbroad_new(0.003);
             TS_ASSERT_EQUALS(0.1, mjepw->getDoubleAttr("delta1"));
             TS_ASSERT_EQUALS(0.2, mjepw->getDoubleAttr("delta2"));
             TS_ASSERT_EQUALS(0.3, mjepw->getDoubleAttr("qbroad"));
+            TS_ASSERT_EQUALS(0.003, mjepw->getDoubleAttr("qbroad_new"));
         }
 
 
@@ -108,6 +110,7 @@ class TestPeakWidthModel : public CxxTest::TestSuite
             TS_ASSERT_DELTA(0.5 * w, mjepw->calculate(*bnds), meps);
             mcjepw->setDelta2(0);
             mcjepw->setQbroad(sqrt(3));
+            mcjepw->setQbroad_new(sqrt(3));
             TS_ASSERT_DELTA(2 * w, mjepw->calculate(*bnds), meps);
         }
 
@@ -121,12 +124,14 @@ class TestPeakWidthModel : public CxxTest::TestSuite
             mcjepw->setDelta1(1.1);
             mcjepw->setDoubleAttr("delta2", 2.2);
             mcjepw->setDoubleAttr("qbroad", 0.03);
+            mcjepw->setDoubleAttr("qbroad_new", 0.003);
             PeakWidthModelPtr pwm2 = dumpandload(mjepw);
             JeongPeakWidth* cpwm2 = dynamic_cast<JeongPeakWidth*>(pwm2.get());
             TS_ASSERT(cpwm2);
             TS_ASSERT_EQUALS(1.1, pwm2->getDoubleAttr("delta1"));
             TS_ASSERT_EQUALS(2.2, pwm2->getDoubleAttr("delta2"));
             TS_ASSERT_EQUALS(0.03, pwm2->getDoubleAttr("qbroad"));
+            TS_ASSERT_EQUALS(0.003, pwm2->getDoubleAttr("qbroad_new"));
         }