OOPSE/libBASS/AtomStamp.cpp

#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <iostream>

#include "AtomStamp.hpp"

AtomStamp::AtomStamp(){
  
  unhandled = NULL;
  have_position = 0;
  have_orientation = 0;
  have_type = 0;
  have_extras = 0;
}

AtomStamp::~AtomStamp(){
  
  if( unhandled != NULL ) delete unhandled;
}

void AtomStamp::setPosition( double x, double y, double z ){

  pos[0] = x;
  pos[1] = y;
  pos[2] = z;

  have_position = 1;
}

void AtomStamp::setOrientation( double phi, double theta, double psi ){

  ornt[0] = phi;
  ornt[1] = theta;
  ornt[2] = psi;

  have_orientation = 1;
}

char* AtomStamp::assignString( char* lhs, char* rhs ){

  if( !strcmp( lhs, "type" ) ){
    strcpy( type, rhs );
    have_type = 1;
  }
  else{
    if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
    else unhandled->add( lhs, rhs );
    have_extras = 1;
  }
  return NULL;
}

char* AtomStamp::assignDouble( char* lhs, double rhs ){
  
  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
  else unhandled->add( lhs, rhs );
  have_extras = 1;
  return NULL;
}

char* AtomStamp::assignInt( char* lhs, int rhs ){
  
  if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
  else unhandled->add( lhs, rhs );
  have_extras = 1;
  return NULL;
}

char* AtomStamp::checkMe( void ){
  
  if( !have_type ){
    return strdup( "AtomStamp error. Atom was untyped." );
  }
  return NULL;
}
Revision:	982
Committed:	Mon Jan 26 21:26:40 2004 UTC (20 years, 5 months ago) by gezelter
File size:	1418 byte(s)
Log Message:	Changed default orientation in BASS to use Euler angles in the following order: phi, theta, psi Removed the ability to set orientation using a unit vector
#	User	Rev	Content
1	gezelter	828	#include <stdlib.h>
2			#include <stdio.h>
3			#include <string.h>
4	mmeineke	377	#include <iostream>
5
6			#include "AtomStamp.hpp"
7
8			AtomStamp::AtomStamp(){
9
10			unhandled = NULL;
11			have_position = 0;
12			have_orientation = 0;
13			have_type = 0;
14			have_extras = 0;
15			}
16
17			AtomStamp::~AtomStamp(){
18
19			if( unhandled != NULL ) delete unhandled;
20			}
21
22			void AtomStamp::setPosition( double x, double y, double z ){
23
24			pos[0] = x;
25			pos[1] = y;
26			pos[2] = z;
27
28			have_position = 1;
29			}
30
31	gezelter	982	void AtomStamp::setOrientation( double phi, double theta, double psi ){
32	mmeineke	377
33	gezelter	982	ornt[0] = phi;
34			ornt[1] = theta;
35			ornt[2] = psi;
36	mmeineke	377
37			have_orientation = 1;
38			}
39
40			char* AtomStamp::assignString( char* lhs, char* rhs ){
41
42			if( !strcmp( lhs, "type" ) ){
43			strcpy( type, rhs );
44			have_type = 1;
45			}
46			else{
47			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
48			else unhandled->add( lhs, rhs );
49			have_extras = 1;
50			}
51			return NULL;
52			}
53
54			char* AtomStamp::assignDouble( char* lhs, double rhs ){
55
56			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
57			else unhandled->add( lhs, rhs );
58			have_extras = 1;
59			return NULL;
60			}
61
62			char* AtomStamp::assignInt( char* lhs, int rhs ){
63
64			if( unhandled == NULL ) unhandled = new LinkedAssign( lhs, rhs );
65			else unhandled->add( lhs, rhs );
66			have_extras = 1;
67			return NULL;
68			}
69
70			char* AtomStamp::checkMe( void ){
71
72			if( !have_type ){
73			return strdup( "AtomStamp error. Atom was untyped." );
74			}
75			return NULL;
76			}