colvarvalue::colvarvalue(cvm::vector1d<cvm::real> const &v, Type vti)
{
if ((vti != type_vector) && (v.size() != num_dimensions(vti))) {
cvm::error("Error: trying to initialize a variable of type \""+type_desc(vti)+
"\" using a vector of size "+cvm::to_str(v.size())+
".\n");
value_type = type_notset;
} else {
value_type = vti;
switch (vti) {
case type_scalar:
real_value = v[0];
break;
case type_3vector:
case type_unit3vector:
case type_unit3vectorderiv:
rvector_value = cvm::rvector(v);
break;
case type_quaternion:
case type_quaternionderiv:
quaternion_value = cvm::quaternion(v);
break;
case type_vector:
vector1d_value = v;
break;
case type_notset:
default:
break;
}
}
}
void colvarvalue::add_elem(colvarvalue const &x)
{
if (this->value_type != type_vector) {
cvm::error("Error: trying to set an element for a variable that is not set to be a vector.\n");
return;
}
size_t const n = vector1d_value.size();
size_t const nd = num_dimensions(x.value_type);
elem_types.push_back(x.value_type);
elem_indices.push_back(n);
elem_sizes.push_back(nd);
vector1d_value.resize(n + nd);
set_elem(n, x);
}
size_t FSTestSettings::fs_dim() {
return num_dimensions() + num_vars();
}
