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gezelter |
957 |
#include <stdlib.h> |
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#include <stdio.h> |
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#include <string.h> |
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#include <iostream> |
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#include "RigidBodyStamp.hpp" |
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char RigidBodyStamp::errMsg[500]; |
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RigidBodyStamp::RigidBodyStamp(){ |
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unhandled = NULL; |
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have_position = 0; |
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have_orientation = 0; |
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have_atoms = 0; |
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have_extras = 0; |
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} |
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RigidBodyStamp::~RigidBodyStamp(){ |
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int i; |
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if( unhandled != NULL ) delete unhandled; |
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if( atoms != NULL ){ |
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for( i=0; i<n_atoms; i++ ) delete atoms[i]; |
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} |
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} |
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void RigidBodyStamp::setPosition( double x, double y, double z ){ |
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pos[0] = x; |
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pos[1] = y; |
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pos[2] = z; |
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// Do I tell atoms about this? |
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have_position = 1; |
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} |
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gezelter |
982 |
void RigidBodyStamp::setOrientation( double phi, double theta, double psi ){ |
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gezelter |
957 |
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gezelter |
982 |
// in order of application (see Goldstein) |
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gezelter |
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gezelter |
982 |
ornt[0] = phi; |
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ornt[1] = theta; |
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ornt[2] = psi; |
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gezelter |
957 |
// Do I tell atoms about this? |
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have_orientation = 1; |
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} |
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char* RigidBodyStamp::assignString( char* lhs, char* rhs ){ |
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gezelter |
982 |
if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
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else unhandled->add( lhs, rhs ); |
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have_extras = 1; |
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gezelter |
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return NULL; |
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} |
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char* RigidBodyStamp::assignDouble( char* lhs, double rhs ){ |
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int i; |
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if( !strcmp( lhs, "nAtoms" ) ){ |
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n_atoms = (int)rhs; |
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if( have_atoms ){ |
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sprintf( errMsg, |
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"RigidBodyStamp error, n_atoms already declared" |
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" for this RigidBody.\n"); |
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return strdup( errMsg ); |
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} |
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have_atoms = 1; |
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atoms = new AtomStamp*[n_atoms]; |
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for( i=0; i<n_atoms; i++ ) atoms[i] = NULL; |
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} |
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else { |
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if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
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else unhandled->add( lhs, rhs ); |
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have_extras = 1; |
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} |
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return NULL; |
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} |
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char* RigidBodyStamp::assignInt( char* lhs, int rhs ){ |
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int i; |
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if( !strcmp( lhs, "nAtoms" ) ){ |
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n_atoms = rhs; |
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if( have_atoms ){ |
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sprintf( errMsg, |
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"RigidBodyStamp error, n_atoms already declared for" |
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" this RigidBody.\n"); |
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return strdup( errMsg ); |
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} |
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have_atoms = 1; |
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atoms = new AtomStamp*[n_atoms]; |
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for( i=0; i<n_atoms; i++ ) atoms[i] = NULL; |
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} |
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else { |
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if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs ); |
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else unhandled->add( lhs, rhs ); |
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have_extras = 1; |
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} |
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return NULL; |
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} |
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char* RigidBodyStamp::addAtom( AtomStamp* the_atom, int atomIndex ){ |
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if( have_atoms && atomIndex < n_atoms ) atoms[atomIndex] = the_atom; |
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else{ |
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if( have_atoms ){ |
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sprintf( errMsg, "RigidBodyStamp error, %d out of nAtoms range", |
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atomIndex ); |
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return strdup( errMsg ); |
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} |
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else return strdup("RigidBodyStamp error, nAtoms not given before" |
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"first atom declaration." ); |
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} |
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return NULL; |
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} |
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char* RigidBodyStamp::checkMe( void ){ |
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int i; |
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short int no_atom; |
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gezelter |
982 |
if( !have_atoms ){ |
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return strdup( "RigidBodyStamp error. RigidBody contains no atoms." ); |
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gezelter |
957 |
} |
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no_atom = 0; |
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for( i=0; i<n_atoms; i++ ){ |
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if( atoms[i] == NULL ) no_atom = 1; |
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} |
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if( no_atom ){ |
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sprintf( errMsg, |
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"RigidBodyStamp error. Not all of the atoms were" |
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" declared in this RigidBody."); |
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return strdup( errMsg ); |
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} |
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return NULL; |
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} |