ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13126 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2015-02-19 18:20:52 +00:00
parent f300f2367e
commit 067833cf07
21 changed files with 597 additions and 360 deletions
Download Patch File Download Diff File Expand all files Collapse all files

36
lib/colvars/colvarparse.cpp
View File

@ -47,20 +47,22 @@ size_t colvarparse::dummy_pos = 0;
if (data.size()) { \
std::istringstream is(data); \
TYPE x(def_value); \
if (is >> x) \
if (is >> x) { \
value = x; \
else \
} else { \
cvm::error("Error: in parsing \""+ \
std::string(key)+"\".\n", INPUT_ERROR); \
} \
if (parse_mode != parse_silent) { \
cvm::log("# "+std::string(key)+" = "+ \
cvm::to_str(value)+"\n"); \
} \
} else { \
\
if (b_found_any) \
if (b_found_any) { \
cvm::error("Error: improper or missing value " \
"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
} \
value = def_value; \
if (parse_mode != parse_silent) { \
cvm::log("# "+std::string(key)+" = \""+ \
@ -110,19 +112,21 @@ size_t colvarparse::dummy_pos = 0;
if (data_count == 0) \
cvm::fatal_error("Error: in parsing \""+ \
std::string(key)+"\".\n"); \
if (data_count > 1) \
if (data_count > 1) { \
cvm::error("Error: multiple values " \
"are not allowed for keyword \""+ \
std::string(key)+"\".\n", INPUT_ERROR); \
} \
if (parse_mode != parse_silent) { \
cvm::log("# "+std::string(key)+" = "+ \
cvm::to_str(value)+"\n"); \
} \
} else { \
\
if (b_found_any) \
if (b_found_any) { \
cvm::error("Error: improper or missing value " \
"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
} \
value = def_value; \
if (parse_mode != parse_silent) { \
cvm::log("# "+std::string(key)+" = "+ \
@ -185,11 +189,12 @@ size_t colvarparse::dummy_pos = 0;
size_t i = 0; \
for ( ; i < values.size(); i++) { \
TYPE x(values[i]); \
if (is >> x) \
if (is >> x) { \
values[i] = x; \
else \
} else { \
cvm::error("Error: in parsing \""+ \
std::string(key)+"\".\n", INPUT_ERROR); \
} \
} \
} \
\
@ -200,9 +205,10 @@ size_t colvarparse::dummy_pos = 0;
\
} else { \
\
if (b_found_any) \
if (b_found_any) { \
cvm::error("Error: improper or missing values for \""+ \
std::string(key)+"\".\n", INPUT_ERROR); \
} \
\
for (size_t i = 0; i < values.size(); i++) \
values[i] = def_values[ (i > def_values.size()) ? 0 : i ]; \
@ -476,16 +482,6 @@ bool colvarparse::key_lookup(std::string const &conf,
}
}
// check it is not between quotes
// if ( (conf.find_last_of ("\"",
// conf.find_last_of (white_space, pos)) !=
// std::string::npos) &&
// (conf.find_first_of ("\"",
// conf.find_first_of (white_space, pos)) !=
// std::string::npos) )
// return false;
// save the pointer for a future call (when iterating over multiple
// valid instances of the same keyword)
save_pos = pos + key.size();
@ -493,7 +489,7 @@ bool colvarparse::key_lookup(std::string const &conf,
// get the remainder of the line
size_t pl = conf.rfind("\n", pos);
size_t line_begin = (pl == std::string::npos) ? 0 : pos;
size_t nl = conf.find ("\n", pos);
size_t nl = conf.find("\n", pos);
size_t line_end = (nl == std::string::npos) ? conf.size() : nl;
std::string line(conf, line_begin, (line_end-line_begin));
@ -563,7 +559,7 @@ bool colvarparse::key_lookup(std::string const &conf,
if (data.size() && save_delimiters) {
data_begin_pos.push_back(conf.find(data, pos+key.size()));
data_end_pos.push_back (data_begin_pos.back()+data.size());
data_end_pos.push_back(data_begin_pos.back()+data.size());
// std::cerr << "key = " << key << ", data = \""
// << data << "\", data_begin, data_end = "
// << data_begin_pos.back() << ", " << data_end_pos.back()