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modified JeongPeakWidth to include new Q_broad term #30

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Merged
sbillinge merged 10 commits into from
Dec 9, 2019
Merged

modified JeongPeakWidth to include new Q_broad term #30

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ad201be
modified JeongPeakWidth to include new Q_broad term as per https://do…
Dec 5, 2019
4ad990d
fixed missing header changes
Dec 5, 2019
66c89e1
fixed minor issues
Dec 5, 2019
2b94bcf
fixed minor issues
Dec 5, 2019
e2d0193
fixed minor issues
Dec 5, 2019
43dc44f
fixed minor issues
Dec 5, 2019
5b42095
fixed minor issues
Dec 5, 2019
707bbc3
changed 'qbroad_new' to 'qbroad_seperable'
Dec 9, 2019
ecd4044
changed 'qbroad_new' to 'qbroad_seperable'
Dec 9, 2019
7dee219
modified Travis CI config file to build a draft release
Dec 9, 2019
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fixed minor issues
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Rob
Rob committed Dec 5, 2019
commit 43dc44f3b90f80bc89515514eb75b509a40def0b
2 changes: 1 addition & 1 deletion src/diffpy/srreal/JeongPeakWidth.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@ using namespace std;
// Constructors --------------------------------------------------------------

JeongPeakWidth::JeongPeakWidth() :
mdelta1(0.0), mdelta2(0.0), mqbroad(0.0)
mdelta1(0.0), mdelta2(0.0), mqbroad(0.0), mqbroad_new(0.0)

@sbillinge sbillinge Dec 7, 2019

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I think this is not a good name. A more descriptive name would be better. I don't know, separable_mqbroad or something along those lines?

{
this->registerDoubleAttribute("delta1",
this, &JeongPeakWidth::getDelta1, &JeongPeakWidth::setDelta1);
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4 changes: 2 additions & 2 deletions src/tests/TestPeakWidthModel.hpp
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Expand Up @@ -84,7 +84,7 @@ class TestPeakWidthModel : public CxxTest::TestSuite
void test_attributes()
{
TS_ASSERT_EQUALS(0, mdwpw->namesOfDoubleAttributes().size());
TS_ASSERT_EQUALS(3, mjepw->namesOfDoubleAttributes().size());
TS_ASSERT_EQUALS(4, mjepw->namesOfDoubleAttributes().size());
mcjepw->setDelta1(0.1);
mcjepw->setDelta2(0.2);
mcjepw->setQbroad(0.3);
Expand Down Expand Up @@ -141,7 +141,7 @@ class TestPeakWidthModel : public CxxTest::TestSuite
TS_ASSERT(mcnpw->hasDoubleAttr("width"));
TS_ASSERT(mcnpw->hasDoubleAttr("bisowidth"));
TS_ASSERT(mcnpw->hasDoubleAttr("uisowidth"));
TS_ASSERT_EQUALS(3, mcnpw->namesOfDoubleAttributes().size());
TS_ASSERT_EQUALS(4, mcnpw->namesOfDoubleAttributes().size());
mccnpw->setWidth(0.1);
TS_ASSERT_EQUALS(0.1, mcnpw->getDoubleAttr("width"));
TS_ASSERT_EQUALS(0.1, mcnpw->maxWidth(dimer(), 0, 4));
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