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root/group/trunk/OOPSE/utils/sysbuilder/sysBuild.cpp
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Comparing trunk/OOPSE/utils/sysbuilder/sysBuild.cpp (file contents):
Revision 700 by chuckv, Mon Aug 18 20:59:47 2003 UTC vs.
Revision 822 by gezelter, Mon Oct 27 16:20:59 2003 UTC

# Line 1 | Line 1
1 –
1   #include <cstdlib>
2   #include <cstdio>
3   #include <cstring>
# Line 56 | Line 55 | int main( int argc, char* argv[]){
55  
56    int hasErrors;
57  
59 –
60 –  MakeStamps* the_stamps = NULL;
61 –  Globals* the_globals = NULL;
62 –  Component** the_components = NULL;
63 –  LinkedMolStamp* headStamp = NULL;
64 –  LinkedMolStamp* currStamp;
65 –
58    // initialize all functions and variables
59  
60    initSimError();
# Line 74 | Line 66 | int main( int argc, char* argv[]){
66    headInc = NULL;
67  
68    bsInfo.includes = NULL;
77 –  bsInfo.componentsNmol = NULL;
78 –  bsInfo.compStamps = NULL;
79 –  bsInfo.havePressure = 0;
80 –  bsInfo.haveTauBarostat = 0;
81 –  bsInfo.haveTauThermostat = 0;
82 –  bsInfo.haveQmass = 0;
83 –
84 –  //Nanobuilder components.
85 –  bsInfo.latticeType = FCC_LATTICE_TYPE; // set lattice type to FCC.
86 –  bsInfo.hasVacancies = 0; //set vacancies to false.
87 –  bsInfo.buildCoreShell = 0;
88 –
89 –  bsInfo.latticeSpacing = 0.0;
90 –  bsInfo.coreRadius = 0.0;
91 –  bsInfo.particleRadius = 0.0;
92 –  bsInfo.shellRadius = 0.0;
93 –  bsInfo.vacancyRadius = 0.0;
94 –  bsInfo.vacancyFraction = 0.0;
95 –  bsInfo.soluteX = 0.0;
69  
70  
98 –
99 –  headStamp = new LinkedMolStamp();
100 –  the_stamps = new MakeStamps();
101 –  the_globals = new Globals();
102 –  set_interface_stamps( the_stamps, the_globals );
103 –
71    // parse command line arguments
72  
73    if (cmdline_parser (argc, argv, &args_info) != 0)
# Line 109 | Line 76 | int main( int argc, char* argv[]){
76    // Handle command line arguments.
77    sysType = grabCmdArgs();
78  
79 < // Keep me
80 < if(in_name == NULL){
79 >  // Keep me
80 >  if(in_name == NULL){
81      sprintf( painCave.errMsg,
82               "No input bass file was specified.\n");
83      painCave.isFatal = 0;
# Line 138 | Line 105 | if(in_name == NULL){
105    bsInfo.outPrefix = out_prefix;
106    bsInfo.includes = headInc;
107    
141 –
108    // open and parse the bass file.
109  
110    set_interface_stamps( the_stamps, the_globals );
# Line 148 | Line 114 | if(in_name == NULL){
114    bsInfo.targetTemp = the_globals->getTargetTemp();
115    bsInfo.dt = the_globals->getDt();
116    bsInfo.runTime = the_globals->getRunTime();
151 –
152 –  std::cerr << "dt = " << bsInfo.dt << "\n";
117  
118    // get the ones we know are there, yet still may need some work.
119    bsInfo.nComponents = the_globals->getNComponents();

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