--- trunk/src/primitives/Bend.cpp 2005/04/15 22:03:16 506 +++ trunk/src/primitives/Bend.cpp 2005/04/15 22:04:00 507 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -43,8 +43,8 @@ namespace oopse { namespace oopse { -/**@todo still a lot left to improve*/ -void Bend::calcForce() { + /**@todo still a lot left to improve*/ + void Bend::calcForce() { Vector3d pos1 = atom1_->getPos(); Vector3d pos2 = atom2_->getPos(); Vector3d pos3 = atom3_->getPos(); @@ -63,9 +63,9 @@ void Bend::calcForce() { //check roundoff if (cosTheta > 1.0) { - cosTheta = 1.0; + cosTheta = 1.0; } else if (cosTheta < -1.0) { - cosTheta = -1.0; + cosTheta = -1.0; } double theta = acos(cosTheta); @@ -77,7 +77,7 @@ void Bend::calcForce() { double sinTheta = sqrt(1.0 - cosTheta * cosTheta); if (fabs(sinTheta) < 1.0E-6) { - sinTheta = 1.0E-6; + sinTheta = 1.0E-6; } double commonFactor1 = dVdTheta / sinTheta * d21inv; @@ -93,6 +93,6 @@ void Bend::calcForce() { atom1_->addFrc(force1); atom2_->addFrc(force2); atom3_->addFrc(force3); -} + } } //end namespace oopse