Add access to the weight (g/mol) for ScatteringPowerAtom and Crystal

vincefn · vincefn · commit dcb00e1bc315 · 2021-11-07T16:29:30.000+01:00
diff --git a/ObjCryst/ObjCryst/Crystal.cpp b/ObjCryst/ObjCryst/Crystal.cpp
@@ -420,7 +420,7 @@ REAL Crystal::GetWeight() const
 {
    this->GetScatteringComponentList();
    if(mScattCompList.GetNbComponent() == 0) return 0;
-   REAL w;
+   REAL w=0;
    for(unsigned int i=0; i<mScattCompList.GetNbComponent(); ++i)
    {
       const ScatteringComponent* psi = &mScattCompList(i);

Original file line number	Diff line number	Diff line change
`@@ -420,7 +420,7 @@ REAL Crystal::GetWeight() const`
`420`	`420`	`{`
`421`	`421`	`this->GetScatteringComponentList();`
`422`	`422`	`if(mScattCompList.GetNbComponent() == 0) return 0;`
`423`		`- REAL w;`
	`423`	`+ REAL w=0;`
`424`	`424`	`for(unsigned int i=0; i<mScattCompList.GetNbComponent(); ++i)`
`425`	`425`	`{`
`426`	`426`	`const ScatteringComponent* psi = &mScattCompList(i);`