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--- ghemical-1.01.orig/src/graphics/docview.cpp
+++ ghemical-1.01/src/graphics/docview.cpp
@@ -13,7 +13,7 @@
#include "views.h"
#include "v3d.h"
-#include "Vector.h" // OpenBabel utils for torsion, angle measure
+#include <math/vector3.h> // OpenBabel utils for torsion, angle measure
using namespace OpenBabel;
#include <iomanip>
@@ -492,19 +492,19 @@
float measure_ang(float * c1, float * c2, float * c3)
{
- Vector v1, v2;
- v1 = Vector(c1[0] - c2[0], c1[1] - c2[1], c1[2] - c2[2]);
- v2 = Vector(c3[0] - c2[0], c3[1] - c2[1], c3[2] - c2[2]);
- return VectorAngle(v1, v2);
+ vector3 v1, v2;
+ v1 = vector3(c1[0] - c2[0], c1[1] - c2[1], c1[2] - c2[2]);
+ v2 = vector3(c3[0] - c2[0], c3[1] - c2[1], c3[2] - c2[2]);
+ return vectorAngle(v1, v2);
}
float measure_tor(float * c1, float * c2, float * c3, float * c4)
{
- Vector v1, v2, v3, v4;
- v1 = Vector(c1[0], c1[1], c1[2]) * 10.0f;
- v2 = Vector(c2[0], c2[1], c2[2]) * 10.0f;
- v3 = Vector(c3[0], c3[1], c3[2]) * 10.0f;
- v4 = Vector(c4[0], c4[1], c4[2]) * 10.0f;
+ vector3 v1, v2, v3, v4;
+ v1 = vector3(c1[0], c1[1], c1[2]) * 10.0f;
+ v2 = vector3(c2[0], c2[1], c2[2]) * 10.0f;
+ v3 = vector3(c3[0], c3[1], c3[2]) * 10.0f;
+ v4 = vector3(c4[0], c4[1], c4[2]) * 10.0f;
return CalcTorsionAngle(v1, v2, v3, v4);
}
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