9 #ifndef IMPPMI_TRANSFORM_MOVER_H
10 #define IMPPMI_TRANSFORM_MOVER_H
12 #include <IMP/pmi/pmi_config.h>
20 IMPPMI_BEGIN_NAMESPACE
29 Float max_translation_;
46 unsigned int nelements=0;
47 for (
unsigned int i=0;i<pixyzs_.size();i++) {
56 for (
unsigned int i=0;i<pirbs_.size();i++){
59 unsigned int nparticles=rb.get_number_of_members();
60 x=x+xyz[0]*float(nparticles);
61 y=y+xyz[1]*float(nparticles);
62 z=z+xyz[2]*float(nparticles);
63 nelements=nelements+nparticles;
67 center[0]=x/float(nelements);
68 center[1]=y/float(nelements);
69 center[2]=z/float(nelements);
82 if ( core::RigidBody::get_is_setup(get_model(), pi) ) {
86 pixyzs_.push_back(pi);
99 void set_maximum_translation(
Float mt) {
101 max_translation_ = mt;
104 void set_maximum_rotation(
Float mr) {
109 Float get_maximum_translation()
const {
return max_translation_; }
111 Float get_maximum_rotation()
const {
return max_angle_; }
A container for Singletons.
Simple Monte Carlo optimizer.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
virtual void do_reject()=0
Implement reset_proposed_move()
Class for storing model, its restraints, constraints, and particles.
A base class for classes which perturb particles.
functionality for defining rigid bodies
The base class for movers for MC optimization.
A decorator for a particle with x,y,z coordinates.
virtual MonteCarloMoverResult do_propose()=0
Implement propose_move()
const algebra::Vector3D & get_coordinates() const
Convert it to a vector.
double Float
Basic floating-point value (could be float, double...)
#define IMP_USAGE_CHECK(expr, message)
A runtime test for incorrect usage of a class or method.
A decorator for a rigid body.
virtual ModelObjectsTemp do_get_inputs() const =0
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.