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root/group/branches/new_design/OOPSE-4/src/UseTheForce/ForceFields.hpp
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Comparing:
trunk/OOPSE-4/src/UseTheForce/ForceFields.hpp (file contents), Revision 1655 by gezelter, Wed Oct 27 02:20:29 2004 UTC vs.
branches/new_design/OOPSE-4/src/UseTheForce/ForceFields.hpp (file contents), Revision 1683, Thu Oct 28 22:34:02 2004 UTC

# Line 62 | Line 62 | class ForceFields{ (public)
62  
63   public:
64    ForceFields(){
65 +
66 +    char* force_param_path;
67      frcFile = NULL;
68      entry_plug = NULL;
69      has_variant=0;
70 <    ffPath = getenv("FORCE_PARAM_PATH");
70 >
71 >    force_param_path = getenv("FORCE_PARAM_PATH");
72 >    if (force_param_path != NULL) {
73 >      ffPath = force_param_path;
74 >    } else {
75 >      ffPath = "";
76 >    }
77 >
78      if( ffPath.empty() ) {
79        STR_DEFINE(ffPath, FRC_PATH );
80      }  
81    }
82 <  ForceFields(string theVariant){
82 >  ForceFields(const string &theVariant){
83 >    char* force_param_path;
84      frcFile = NULL;
85      entry_plug = NULL;
86      has_variant=1;
87      variant = theVariant;
88 <    ffPath = getenv("FORCE_PARAM_PATH");
88 >
89 >    force_param_path = getenv("FORCE_PARAM_PATH");
90 >    if (force_param_path != NULL) {
91 >      ffPath = force_param_path;
92 >    } else {
93 >      ffPath = "";
94 >    }
95 >
96      if( ffPath.empty() ) {
97        STR_DEFINE(ffPath, FRC_PATH );
98      }  
# Line 132 | Line 149 | class DUFF : public ForceFields{ (public)
149   class DUFF : public ForceFields{
150  
151   public:
152 <  DUFF() : ForceFields() {};
152 >  DUFF();
153    virtual ~DUFF();
154  
155    void readParams();
# Line 156 | Line 173 | class LJFF : public ForceFields{ (public)
173   class LJFF : public ForceFields{
174  
175   public:
176 <  LJFF() : ForceFields() {};
176 >  LJFF();
177    virtual ~LJFF();
178    
179  
# Line 183 | Line 200 | class EAM_FF : public ForceFields{ (public)
200   class EAM_FF : public ForceFields{
201  
202   public:
203 <  EAM_FF() : ForceFields();
204 <  EAM_FF(string the_variant) : ForceFields(the_variant);
203 >
204 >  EAM_FF();
205 >  EAM_FF(const string &theVariant);
206 >
207    virtual ~EAM_FF();
208    
190 –
209    void readParams();
210    void cleanMe( void );
211  
# Line 213 | Line 231 | class WATER : public ForceFields{ (public)
231   class WATER : public ForceFields{
232  
233   public:
234 <  WATER() : ForceFields() {};
234 >  WATER();
235    virtual ~WATER();
236  
237    void readParams();
# Line 239 | Line 257 | class Shapes_FF : public ForceFields{ (public)
257  
258   public:
259    Shapes_FF() : ForceFields() {};
260 <  Shapes_FF(char* the_variant) : ForceFields(the_variant) {};
260 >  Shapes_FF(const string &the_variant) : ForceFields(the_variant) {};
261    virtual ~Shapes_FF();
262    
263    void readParams();

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