SwitchingFunction::SwitchingFunction(const SwitchingFunction&sf):
init(sf.init),
type(sf.type),
invr0(sf.invr0),
d0(sf.d0),
dmax(sf.dmax),
nn(sf.nn),
mm(sf.mm),
a(sf.a),
b(sf.b),
c(sf.c),
d(sf.d),
lambda(sf.lambda),
beta(sf.beta),
ref(sf.ref),
invr0_2(sf.invr0_2),
dmax_2(sf.dmax_2),
stretch(sf.stretch),
shift(sf.shift),
evaluator(NULL),
evaluator_deriv(NULL)
{
#ifdef __PLUMED_HAS_MATHEVAL
if(sf.evaluator) evaluator=evaluator_create(evaluator_get_string(sf.evaluator));
if(sf.evaluator_deriv) evaluator_deriv=evaluator_create(evaluator_get_string(sf.evaluator_deriv));
#endif
}
gchar *
gs_function_plot_get_formula (GsFunctionPlot *plot)
{
g_return_val_if_fail (GS_IS_FUNCTION_PLOT (plot), NULL);
if (plot->priv->matheval_c == NULL) {
return NULL;
}
return g_strdup ((gchar *) evaluator_get_string (plot->priv->matheval_c));
}
std::string SwitchingFunction::description() const {
std::ostringstream ostr;
ostr<<1./invr0<<". Using ";
if(type==rational){
ostr<<"rational";
} else if(type==exponential){
ostr<<"exponential";
} else if(type==nativeq){
ostr<<"nativeq";
} else if(type==gaussian){
ostr<<"gaussian";
} else if(type==smap){
ostr<<"smap";
} else if(type==cubic){
ostr<<"cubic";
} else if(type==tanh){
ostr<<"tanh";
#ifdef __PLUMED_HAS_MATHEVAL
} else if(type==matheval){
ostr<<"matheval";
#endif
} else{
plumed_merror("Unknown switching function type");
}
ostr<<" swiching function with parameters d0="<<d0;
if(type==rational){
ostr<<" nn="<<nn<<" mm="<<mm;
} else if(type==nativeq){
ostr<<" beta="<<beta<<" lambda="<<lambda<<" ref="<<ref;
} else if(type==smap){
ostr<<" a="<<a<<" b="<<b;
} else if(type==cubic){
ostr<<" dmax="<<dmax;
#ifdef __PLUMED_HAS_MATHEVAL
} else if(type==matheval){
ostr<<" func="<<evaluator_get_string(evaluator);
#endif
}
return ostr.str();
}
/* lcpi_parse_file */
int lcpi_parse_file(const char *file) {
char buffer[BUFFER_SIZE];
FILE *lcpi_FP = NULL;
lcpi_t *lcpi = NULL;
int line = 0;
OUTPUT_VERBOSE((4, "%s", _BLUE("Loading LCPI metrics")));
if (NULL == (lcpi_FP = fopen(file, "r"))) {
OUTPUT(("%s (%s)", _ERROR("Error: unable to open LCPI file"), file));
return PERFEXPERT_ERROR;
}
bzero(buffer, BUFFER_SIZE);
while (NULL != fgets(buffer, BUFFER_SIZE - 1, lcpi_FP)) {
char *token = NULL;
line++;
/* Ignore comments and blank lines */
if ((0 == strncmp("#", buffer, 1)) ||
(strspn(buffer, " \t\r\n") == strlen(buffer))) {
continue;
}
/* Remove the end \n character */
buffer[strlen(buffer) - 1] = '\0';
/* Replace some characters just to provide a safe expression */
perfexpert_string_replace_char(buffer, ':', '_');
/* Allocate and set LCPI data */
PERFEXPERT_ALLOC(lcpi_t, lcpi, sizeof(lcpi_t));
lcpi->value = 0.0;
token = strtok(buffer, "=");
PERFEXPERT_ALLOC(char, lcpi->name, strlen(token) + 1);
strcpy(lcpi->name, perfexpert_string_remove_char(token, ' '));
strcpy(lcpi->name_md5, perfexpert_md5_string(lcpi->name));
token = strtok(NULL, "=");
lcpi->expression = evaluator_create(token);
if (NULL == lcpi->expression) {
OUTPUT(("%s (%s)", _ERROR("Error: invalid expression at line"),
line));
return PERFEXPERT_ERROR;
}
/* Add LCPI to global hash of LCPIs */
perfexpert_hash_add_str(globals.lcpi_by_name, name_md5, lcpi);
OUTPUT_VERBOSE((7, " [%s]=[%s] (%s)", lcpi->name,
evaluator_get_string(lcpi->expression), lcpi->name_md5));
}
OUTPUT_VERBOSE((4, " (%d) %s",
perfexpert_hash_count_str(globals.lcpi_by_name),
_MAGENTA("LCPI metric(s) found")));
return PERFEXPERT_SUCCESS;
}
char *me_change_string(char *string, int opt, me_t * me)
{
void *f = NULL, *f_prim = NULL;
char *sep_ptr;
char *str = NULL;
char **names = NULL;
int count = 0;
char *f_prim_str = NULL;
char *vars_str = NULL;
double res = 0, res_prim = 0;
debug(NULL, "me_change_string: Entered: %s\n", string);
if (!me || !string)
return NULL;
sep_ptr = str_find_sep(string);
if (sep_ptr)
string = sep_ptr;
if (!strlen(string))
return NULL;
f = evaluator_create(string);
if (!f)
return NULL;
evaluator_get_variables(f, &names, &count);
if (!names)
goto cleanup;
vars_str =
array_to_str((void **)names, count, (char *(*)(void *))strdup);
if (!vars_str)
goto cleanup;
f_prim = evaluator_derivative_x(f);
if (!f_prim)
goto cleanup;
f_prim_str = evaluator_get_string(f_prim);
res = evaluator_evaluate_x_y_z(f, me->x, me->y, me->z);
res_prim = evaluator_evaluate_x_y_z(f_prim, me->x, me->y, me->z);
str =
str_unite("f(x,y,z)=%f ... vars={%s} ::: f'(x)=%s=%f", res,
vars_str, f_prim_str, res_prim);
cleanup:
if (f_prim)
evaluator_destroy(f_prim);
if (f)
evaluator_destroy(f);
if (vars_str)
free(vars_str);
return str;
}
std::string
Polynomial::equation() const
{
return std::string( evaluator_get_string( m_e ) );
}
