28 if(args[1][0] !=
'-') {
37 for(i = 2; i < args.
size(); i++) {
38 if(args[i] ==
"-PRIM") {
39 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
46 else if(args[i] ==
"-CSPECS") {
47 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
54 else if(args[i] ==
"-HSPECS") {
55 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
62 else if(args[i] ==
"-LCSPECS") {
63 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
70 else if(args[i] ==
"-STRUC") {
71 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
78 else if(args[i] ==
"-MATRIX") {
79 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
86 else if(args[i] ==
"-TOL") {
87 if(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
89 tol = std::stod(args[i]);
95 else if(args[i] ==
"-COORD") {
96 if(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
100 else if(args[i] ==
"CART")
112 else if(args[i][0] ==
'-') {
114 bool new_keyword =
false;
120 while(((i + 1) < args.
size()) && (args[i + 1][0] !=
'-')) {
127 values[index].push_back(args[i]);
140 out <<
"ERROR. Error reading arguments." << std::endl;
141 out <<
"Expect format: " <<
"casmtools -functionname -OPTION1 Val -OPTION2 Val" << std::endl;
144 for(i = 0; i < args.
size(); i++)
145 out <<
"'" << args[i] <<
"' ";
248 values[index].push_back(invals[i]);
283 out <<
"# Input file names" << std::endl;
291 out <<
"# Additional settings" << std::endl;
293 out <<
"coord_mode: " <<
"FRAC" << std::endl;
295 out <<
"coord_mode: " <<
"CART" << std::endl;
296 out <<
"tol: " <<
tol << std::endl;
298 out <<
"# Additional Keywords:" << std::endl;
303 out <<
values[i][j] <<
" ";
305 out <<
"\n" << std::flush;
308 out <<
"# Function to call" << std::endl;
312 out <<
"# Strings I don't understand" << std::endl;
313 out <<
"Err: " <<
err_list << std::endl;
const Array< std::string > & get_prim_filenames() const
Array< std::string > null_values
void set_function_name(const std::string &in)
const Array< std::string > & get_hspecs_filenames() const
void push_back(const T &toPush)
COORD_TYPE get_coord_mode() const
const std::string & get_function_name() const
const Array< std::string > & get_keyvals(std::string key) const
Array< std::string > structure_filenames
const Array< std::string > & get_lcspecs_filenames() const
Array< std::string > hspecs_filenames
const Array< std::string > & get_matrix_filenames() const
void set_lcspecs_filenames(const Array< std::string > &in)
void set_matrix_filenames(const Array< std::string > &in)
const Array< std::string > & get_structure_filenames() const
Array< std::string > prim_filenames
EigenIndex Index
For long integer indexing:
void set(const Array< std::string > args, std::ostream &out)
Index find(const T &test_elem) const
Array< Array< std::string > > values
const Array< std::string > & get_cspecs_filenames() const
Array< std::string > cspecs_filenames
Array< std::string > lcspecs_filenames
void print(std::ostream &out) const
void set_hspecs_filenames(const Array< std::string > &in)
Array< std::string > keywords
Array< std::string > err_list
Array< std::string > matrix_filenames
void set_coord_mode(COORD_TYPE in)
void set_prim_filenames(const Array< std::string > &in)
void set_cspecs_filenames(const Array< std::string > &in)
void set_keyvals(const std::string &key, const Array< std::string > &invals)
std::string function_name
void set_structure_filenames(const Array< std::string > &in)