From e1f3b216866bea0dcd77cb33133928c989045c33 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Tue, 14 Jun 2016 19:59:55 +0200
Subject: [PATCH] Inlined DihedralAngle and ensured Real-ops used for increased
performance.
---
modules/geom/src/vecmat3_op.cc | 14 --------------
modules/geom/src/vecmat3_op.hh | 13 ++++++++++---
2 files changed, 10 insertions(+), 17 deletions(-)
diff --git a/modules/geom/src/vecmat3_op.cc b/modules/geom/src/vecmat3_op.cc
index 3c5cbdea2..f476eca30 100644
--- a/modules/geom/src/vecmat3_op.cc
+++ b/modules/geom/src/vecmat3_op.cc
@@ -178,20 +178,6 @@ Mat3 AxisRotation(const Vec3& axis, Real angle)
xy-ca*xy+sa*z, yy+ca-ca*yy, yz-ca*yz-sa*x,
xz-ca*xz-sa*y, yz-ca*yz+sa*x,zz+ca-ca*zz);
}
-
-
-Real DihedralAngle(const Vec3& p1, const Vec3& p2, const Vec3& p3,
- const Vec3&p4)
-{
- Vec3 r1=p2-p1;
- Vec3 r2=p3-p2;
- Vec3 r3=p4-p3;
- Vec3 r12cross = Cross(r1, r2);
- Vec3 r23cross = Cross(r2, r3);
- return atan2(Dot(r1*Length(r2), r23cross),
- Dot(r12cross, r23cross));
-}
-
Real MinDistance(const Vec3List& l1, const Vec3List& l2)
{
diff --git a/modules/geom/src/vecmat3_op.hh b/modules/geom/src/vecmat3_op.hh
index fbaaec161..d7762cccf 100644
--- a/modules/geom/src/vecmat3_op.hh
+++ b/modules/geom/src/vecmat3_op.hh
@@ -166,9 +166,16 @@ Mat3 DLLEXPORT_OST_GEOM AxisRotation(const Vec3& axis, Real angle);
/// The returned vector is of length 1
Vec3 DLLEXPORT_OST_GEOM OrthogonalVector(const Vec3& axis);
-
-Real DLLEXPORT_OST_GEOM DihedralAngle(const Vec3& p1, const Vec3& p2,
- const Vec3& p3, const Vec3&p4);
+/// \brief Get dihedral angle for p1-p2-p3-p4
+inline Real DihedralAngle(const Vec3& p1, const Vec3& p2,
+ const Vec3& p3, const Vec3& p4) {
+ const Vec3 r1 = p2-p1;
+ const Vec3 r2 = p3-p2;
+ const Vec3 r3 = p4-p3;
+ const Vec3 r12cross = Cross(r1, r2);
+ const Vec3 r23cross = Cross(r2, r3);
+ return std::atan2(Dot(r1*Length(r2), r23cross), Dot(r12cross, r23cross));
+}
//! returns std::min of each component
inline Vec3 Min(const Vec3& v1, const Vec3& v2)
--
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