int CfgFile::getKeyValue(std::string &sLine, const size_t startPos)
{
// we found the key now get the value
size_t valueBegin = sLine.find_first_not_of(" =\t", startPos);
if (valueBegin == std::string::npos)
return 1; // syntax error, we ignore the block (comment or end of line)
size_t valueEnd;
if (sLine[valueBegin] == '\"')
{
// find a second '"' which is not escaped
valueBegin++;
valueEnd = findFirstNotEscapedOf(sLine, "\"", valueBegin);
if (valueEnd == std::string::npos)
return 1; // syntax error, we ignore the block (comment or end of line)
sLine = sLine.substr(valueBegin, valueEnd - valueBegin);
unescapeString(sLine);
}
else
{
valueEnd = sLine.find_last_not_of(" \t");
if (valueEnd == std::string::npos)
return 1; // syntax error, we ignore the block (comment or end of line)
valueEnd++;
sLine = sLine.substr(valueBegin, valueEnd - valueBegin);
removeWhite(sLine);
unescapeString(sLine);
}
return 0;
}
void PrepinReader::read_prep(string fn)
{
/*** clear maps ***/
advtype.clear();
pc.clear();
keys.clear();
/*** read file ***/
//printf("Reading file '%s'\n", fn.c_str());
string filename="parameters/"+fn;
string line;
file.open(filename.c_str());
if(!file)
{
printf("WARNING: could not read parameter file '%s'!",fn.c_str());
return;
}
bool go = false;
while(!file.eof())
{
getline(file, line);
/*** break line into words ***/
words.clear();
char temp[300];
istringstream stream(line.c_str());
while(stream>>temp)
words.push_back(removeWhite(string(temp)));
/*** new residue ***/
if(words[1] == "INT")
{
go = true;
amino = words[0];
}
if(words.size() == 0)
go = false;
if(go == true)
if(words.size() > 4 && words[1] != "DUMM")
{
string key1;
key1 = words[1];
/*** to avoid confusion when reading molecule prepins***/
if(amino=="SUB")
amino="";
string collectKey = amino + " " + key1;
keys.push_back(collectKey);
string tmpAdvType;
tmpAdvType = words[2];
advtype[collectKey]=tmpAdvType;
double tmpPartialCharge;
istringstream instr(words[10]);
instr >> tmpPartialCharge;
pc[collectKey]=tmpPartialCharge;
// cout << "Found key:" << collectKey << " " << tmpAdvType << " " << tmpPartialCharge << endl;
}
}
void Control::interpretator(string line)
{
/*** Transforms to lower case ***/
//transform(line.begin(), line.end(), line.begin(),::tolower);
/*** check for commentation ***/
string checkComment(line,0,1);
if(checkComment == "#" || line.size()<2)
return;
/*** replaces '{' and '}' with ' { ' and ' } ' ***/
for(unsigned int i=0; i<line.size(); i++)
{
if(string(line,i,1) =="{")
{
line.replace(i, 1, string(" { "),0,3);
i++;
}
else if(string(line,i,1)=="}")
{
line.replace(i, 1, string(" } "),0,3);
i++;
}
}
/*** break command into words ***/
vector<string> words;
words.clear();
char temp[300];
istringstream stream(line.c_str());
while(stream>>temp)
words.push_back(removeWhite(string(temp)));
/*** check for lines with only white space ***/
if(words.size() < 1)
return;
/*
printf("Control has the words:\n");
for(int i=0;i<words.size();i++)
printf("'%s' ",words[i].c_str());
printf("\n");
*/
try
{
string com = words.at(0);
if(com == "load")
{
if(words.size() > 2)
load(words.at(1), words.at(2));
else
{
char no[6];
sprintf(no, "%d", soups.size());
load(words.at(1), string("AutoSoup") + string(no));
}
}
else if(com == "loadtosoup")
{
if(words.size() > 3)
loadToSoup(atoi(words.at(1).c_str()), words.at(2), words.at(3));
else
{
char no[6];
sprintf(no, "%d", soups.size());
load(words.at(1), string("AutoSoup") + string(no));
}
}
else if(com == "stat")
stat();
else if(com == "list")
list();
else if(com == "clear")
clear();
else if(com == "task")
doTask(words);
else if(com == "script")
do_script(words);
else if(com == "exit")
return;
else
printf("Don't understand the command '%s'!\n",words.at(0).c_str());
}
catch (...)
{
printf("The command %s caused a critical error!\n",line.c_str());
}
}
