more colvars library refactoring
This commit is contained in:
Axel Kohlmeyer
@ -19,11 +19,11 @@ size_t colvarparse::dummy_pos = 0;
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#define _get_keyval_scalar_string_(TYPE) \
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\
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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TYPE &value, \
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TYPE const &def_value, \
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Parse_Mode const parse_mode) \
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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TYPE &value, \
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TYPE const &def_value, \
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Parse_Mode const parse_mode) \
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{ \
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std::string data; \
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bool b_found = false, b_found_any = false; \
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@ -31,7 +31,7 @@ size_t colvarparse::dummy_pos = 0;
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\
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do { \
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std::string data_this = ""; \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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if (b_found) { \
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if (!b_found_any) \
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b_found_any = true; \
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@ -41,30 +41,30 @@ size_t colvarparse::dummy_pos = 0;
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} while (b_found); \
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\
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if (found_count > 1) \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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\
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if (data.size()) { \
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std::istringstream is(data); \
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TYPE x(def_value); \
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std::istringstream is(data); \
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TYPE x(def_value); \
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if (is >> x) \
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value = x; \
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else \
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cvm::error("Error: in parsing \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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cvm::error("Error: in parsing \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(value)+"\n"); \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(value)+"\n"); \
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} \
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} else { \
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\
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if (b_found_any) \
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cvm::error("Error: improper or missing value " \
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"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
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cvm::error("Error: improper or missing value " \
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"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
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value = def_value; \
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = \""+ \
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cvm::to_str(def_value)+"\" [default]\n"); \
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cvm::log("# "+std::string(key)+" = \""+ \
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cvm::to_str(def_value)+"\" [default]\n"); \
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} \
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} \
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\
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@ -74,11 +74,11 @@ size_t colvarparse::dummy_pos = 0;
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#define _get_keyval_scalar_(TYPE) \
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\
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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TYPE &value, \
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TYPE const &def_value, \
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Parse_Mode const parse_mode) \
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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TYPE &value, \
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TYPE const &def_value, \
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Parse_Mode const parse_mode) \
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{ \
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std::string data; \
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bool b_found = false, b_found_any = false; \
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@ -86,7 +86,7 @@ size_t colvarparse::dummy_pos = 0;
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\
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do { \
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std::string data_this = ""; \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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if (b_found) { \
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if (!b_found_any) \
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b_found_any = true; \
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@ -96,37 +96,37 @@ size_t colvarparse::dummy_pos = 0;
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} while (b_found); \
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\
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if (found_count > 1) \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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\
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if (data.size()) { \
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std::istringstream is(data); \
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std::istringstream is(data); \
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size_t data_count = 0; \
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TYPE x(def_value); \
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TYPE x(def_value); \
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while (is >> x) { \
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value = x; \
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data_count++; \
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} \
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if (data_count == 0) \
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cvm::fatal_error("Error: in parsing \""+ \
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std::string(key)+"\".\n"); \
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cvm::fatal_error("Error: in parsing \""+ \
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std::string(key)+"\".\n"); \
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if (data_count > 1) \
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cvm::error("Error: multiple values " \
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"are not allowed for keyword \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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cvm::error("Error: multiple values " \
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"are not allowed for keyword \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(value)+"\n"); \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(value)+"\n"); \
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} \
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} else { \
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\
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if (b_found_any) \
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cvm::error("Error: improper or missing value " \
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"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
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"for \""+std::string(key)+"\".\n", INPUT_ERROR); \
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value = def_value; \
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(def_value)+" [default]\n"); \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(def_value)+" [default]\n"); \
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} \
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} \
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\
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@ -138,11 +138,11 @@ size_t colvarparse::dummy_pos = 0;
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#define _get_keyval_vector_(TYPE) \
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\
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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std::vector<TYPE> &values, \
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std::vector<TYPE> const &def_values, \
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Parse_Mode const parse_mode) \
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bool colvarparse::get_keyval(std::string const &conf, \
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char const *key, \
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std::vector<TYPE> &values, \
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std::vector<TYPE> const &def_values, \
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Parse_Mode const parse_mode) \
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{ \
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std::string data; \
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bool b_found = false, b_found_any = false; \
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@ -150,7 +150,7 @@ size_t colvarparse::dummy_pos = 0;
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\
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do { \
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std::string data_this = ""; \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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b_found = key_lookup(conf, key, data_this, save_pos); \
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if (b_found) { \
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if (!b_found_any) \
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b_found_any = true; \
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@ -160,11 +160,11 @@ size_t colvarparse::dummy_pos = 0;
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} while (b_found); \
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\
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if (found_count > 1) \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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cvm::log("Warning: found more than one instance of \""+ \
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std::string(key)+"\".\n"); \
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\
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if (data.size()) { \
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std::istringstream is(data); \
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std::istringstream is(data); \
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\
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if (values.size() == 0) { \
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\
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@ -172,44 +172,44 @@ size_t colvarparse::dummy_pos = 0;
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if (def_values.size()) \
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x = def_values; \
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else \
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x.assign(1, TYPE()); \
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x.assign(1, TYPE()); \
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\
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for (size_t i = 0; \
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( is >> x[ ((i<x.size()) ? i : x.size()-1) ] ); \
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i++) { \
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values.push_back(x[ ((i<x.size()) ? i : x.size()-1) ]); \
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values.push_back(x[ ((i<x.size()) ? i : x.size()-1) ]); \
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} \
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\
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} else { \
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\
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size_t i = 0; \
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for ( ; i < values.size(); i++) { \
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TYPE x(values[i]); \
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TYPE x(values[i]); \
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if (is >> x) \
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values[i] = x; \
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else \
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cvm::error("Error: in parsing \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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cvm::error("Error: in parsing \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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} \
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} \
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\
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(values)+"\n"); \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(values)+"\n"); \
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} \
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\
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} else { \
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\
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if (b_found_any) \
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cvm::error("Error: improper or missing values for \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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cvm::error("Error: improper or missing values for \""+ \
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std::string(key)+"\".\n", INPUT_ERROR); \
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\
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for (size_t i = 0; i < values.size(); i++) \
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values[i] = def_values[ (i > def_values.size()) ? 0 : i ]; \
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\
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if (parse_mode != parse_silent) { \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(def_values)+" [default]\n"); \
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cvm::log("# "+std::string(key)+" = "+ \
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cvm::to_str(def_values)+" [default]\n"); \
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} \
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} \
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\
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@ -241,10 +241,10 @@ _get_keyval_vector_(colvarvalue);
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bool colvarparse::get_keyval(std::string const &conf,
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char const *key,
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bool &value,
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bool const &def_value,
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Parse_Mode const parse_mode)
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char const *key,
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bool &value,
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bool const &def_value,
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Parse_Mode const parse_mode)
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{
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std::string data;
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bool b_found = false, b_found_any = false;
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@ -263,7 +263,7 @@ bool colvarparse::get_keyval(std::string const &conf,
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if (found_count > 1)
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cvm::log("Warning: found more than one instance of \""+
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std::string(key)+"\".\n");
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std::string(key)+"\".\n");
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if (data.size()) {
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if ( (data == std::string("on")) ||
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@ -271,15 +271,15 @@ bool colvarparse::get_keyval(std::string const &conf,
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(data == std::string("true")) ) {
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value = true;
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} else if ( (data == std::string("off")) ||
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(data == std::string("no")) ||
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(data == std::string("false")) ) {
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(data == std::string("no")) ||
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(data == std::string("false")) ) {
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value = false;
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} else
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cvm::fatal_error("Error: boolean values only are allowed "
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"for \""+std::string(key)+"\".\n");
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"for \""+std::string(key)+"\".\n");
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if (parse_mode != parse_silent) {
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cvm::log("# "+std::string(key)+" = "+
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(value ? "on" : "off")+"\n");
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(value ? "on" : "off")+"\n");
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}
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} else {
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@ -292,7 +292,7 @@ bool colvarparse::get_keyval(std::string const &conf,
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value = def_value;
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if (parse_mode != parse_silent) {
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cvm::log("# "+std::string(key)+" = "+
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(def_value ? "on" : "off")+" [default]\n");
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(def_value ? "on" : "off")+" [default]\n");
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}
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}
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}
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@ -351,7 +351,7 @@ int colvarparse::check_keywords(std::string &conf, char const *key)
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{
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if (cvm::debug())
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cvm::log("Configuration string for \""+std::string(key)+
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"\": \"\n"+conf+"\".\n");
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"\": \"\n"+conf+"\".\n");
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strip_values(conf);
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// after stripping, the config string has either empty lines, or
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@ -383,7 +383,7 @@ int colvarparse::check_keywords(std::string &conf, char const *key)
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}
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if (!found_keyword) {
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cvm::log("Error: keyword \""+uk+"\" is not supported, "
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"or not recognized in this context.\n");
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"or not recognized in this context.\n");
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cvm::set_error_bits(INPUT_ERROR);
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return COLVARS_ERROR;
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}
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@ -396,8 +396,8 @@ int colvarparse::check_keywords(std::string &conf, char const *key)
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std::istream & colvarparse::getline_nocomments(std::istream &is,
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std::string &line,
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char const delim)
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std::string &line,
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char const delim)
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{
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std::getline(is, line, delim);
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size_t const comment = line.find('#');
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@ -409,9 +409,9 @@ std::istream & colvarparse::getline_nocomments(std::istream &is,
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bool colvarparse::key_lookup(std::string const &conf,
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char const *key_in,
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std::string &data,
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size_t &save_pos)
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char const *key_in,
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std::string &data,
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size_t &save_pos)
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{
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// add this keyword to the register (in its camelCase version)
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add_keyword(key_in);
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@ -445,7 +445,7 @@ bool colvarparse::key_lookup(std::string const &conf,
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if (pos > 0) {
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if ( std::string("\n"+white_space+
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"}").find(conf[pos-1]) ==
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"}").find(conf[pos-1]) ==
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std::string::npos ) {
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// none of the valid delimiting characters is on the left of key
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b_isolated_left = false;
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@ -454,7 +454,7 @@ bool colvarparse::key_lookup(std::string const &conf,
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if (pos < conf.size()-key.size()-1) {
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if ( std::string("\n"+white_space+
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"{").find(conf[pos+key.size()]) ==
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"{").find(conf[pos+key.size()]) ==
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std::string::npos ) {
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// none of the valid delimiting characters is on the right of key
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b_isolated_right = false;
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@ -522,9 +522,9 @@ bool colvarparse::key_lookup(std::string const &conf,
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// add a new line
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if (line_end >= conf.size()) {
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cvm::fatal_error("Parse error: reached the end while "
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"looking for closing brace; until now "
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"the following was parsed: \"\n"+
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line+"\".\n");
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"looking for closing brace; until now "
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"the following was parsed: \"\n"+
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line+"\".\n");
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return false;
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}
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size_t const old_end = line.size();
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@ -548,11 +548,11 @@ bool colvarparse::key_lookup(std::string const &conf,
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// set data_begin after the opening brace
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data_begin = line.find_first_of('{', data_begin) + 1;
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data_begin = line.find_first_not_of(white_space,
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data_begin);
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data_begin);
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// set data_end before the closing brace
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data_end = brace;
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data_end = line.find_last_not_of(white_space+"}",
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data_end) + 1;
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data_end) + 1;
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// data_end_absolute = line_end;
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if (data_end > line.size())
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@ -625,7 +625,7 @@ std::istream & operator>> (std::istream &is, colvarparse::read_block const &rb)
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bool colvarparse::brace_check(std::string const &conf,
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size_t const start_pos)
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size_t const start_pos)
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{
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size_t brace_count = 0;
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size_t brace = start_pos;
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