// Exec_DataSetCmd::Remove()
Exec::RetType Exec_DataSetCmd::Remove(CpptrajState& State, ArgList& argIn) {
std::string status;
// Get criterion type
CriterionType criterion = UNKNOWN_C;
for (int i = 1; i < (int)N_C; i++)
if (argIn.hasKey( CriterionKeys[i] )) {
criterion = (CriterionType)i;
status.assign( CriterionKeys[i] );
break;
}
if (criterion == UNKNOWN_C) {
mprinterr("Error: No criterion specified for 'remove'.\n");
return CpptrajState::ERR;
}
// Get select type
SelectType select = UNKNOWN_S;
std::string val1, val2;
for (const SelectPairType* ptr = SelectKeys; ptr->key_ != 0; ptr++)
if (argIn.Contains( ptr->key_ )) {
select = ptr->type_;
val1 = argIn.GetStringKey( ptr->key_ );
status.append( " " + std::string(ptr->key_) + " " + val1 );
// Get 'and' value for between/outside. TODO put nargs in SelectPairType?
if (select == BETWEEN || select == OUTSIDE) {
val2 = argIn.GetStringKey("and");
if (val2.empty()) {
mprinterr("Error: Missing 'and' value for selection '%s'\n", ptr->key_);
return CpptrajState::ERR;
}
status.append(" and " + val2);
}
break;
}
if (select == UNKNOWN_S || val1.empty()) {
mprinterr("Error: No selection specified for 'remove'.\n");
return CpptrajState::ERR;
}
if ( (criterion == SMODE || criterion == STYPE) &&
(select != EQUAL && select != NOT_EQUAL) )
{
mprinterr("Error: Specified select not valid for criterion '%s'\n", CriterionKeys[criterion]);
return CpptrajState::ERR;
}
mprintf("\tRemoving data sets");
std::string setSelectArg = argIn.GetStringNext();
if (setSelectArg.empty())
setSelectArg.assign("*");
else
mprintf(" within selection '%s'", setSelectArg.c_str());
mprintf(" %s\n", status.c_str());
DataSetList tempDSL = State.DSL().GetMultipleSets( setSelectArg );
if (tempDSL.empty()) {
mprinterr("Error: No data sets selected.\n");
return CpptrajState::ERR;
}
// Remove sets
unsigned int Nremoved = 0;
if ( criterion == AVERAGE ) {
if (!validDouble( val1 )) {
mprinterr("Error: '%s' is not a valid number\n", val1.c_str());
return CpptrajState::ERR;
}
double d_val1 = convertToDouble( val1 );
double d_val2 = d_val1;
if (!val2.empty()) {
if (!validDouble( val2 )) {
mprinterr("Error: '%s' is not a valid number\n", val2.c_str());
return CpptrajState::ERR;
}
d_val2 = convertToDouble( val2 );
}
for (DataSetList::const_iterator ds = tempDSL.begin(); ds != tempDSL.end(); ++ds)
{
if ( (*ds)->Group() != DataSet::SCALAR_1D )
mprintf("Warning: '%s' is not a valid data set for 'average' criterion.\n", (*ds)->legend());
else {
DataSet_1D const& ds1 = static_cast<DataSet_1D const&>( *(*ds) );
double avg = ds1.Avg();
bool remove = false;
switch (select) {
case EQUAL : remove = (avg == d_val1); break;
case NOT_EQUAL : remove = (avg != d_val1); break;
case LESS_THAN : remove = (avg < d_val1); break;
case GREATER_THAN : remove = (avg > d_val1); break;
case BETWEEN : remove = (avg > d_val1 && avg < d_val2); break;
case OUTSIDE : remove = (avg < d_val1 || avg > d_val2); break;
case UNKNOWN_S:
case N_S : return CpptrajState::ERR; // Sanity check
}
if (remove) {
mprintf("\t Removing set '%s' (avg is %g)\n", (*ds)->legend(), avg);
State.RemoveDataSet( *ds );
++Nremoved;
}
}
}
} else if ( criterion == SIZE ) {
if (!validInteger( val1 )) {
mprinterr("Error: '%s' is not a valid number\n", val1.c_str());
return CpptrajState::ERR;
}
unsigned int i_val1 = (unsigned int)convertToInteger( val1 );
unsigned int i_val2 = i_val1;
if (!val2.empty()) {
if (!validInteger( val2 )) {
mprinterr("Error: '%s' is not a valid number\n", val2.c_str());
return CpptrajState::ERR;
}
i_val2 = convertToInteger( val2 );
}
for (DataSetList::const_iterator ds = tempDSL.begin(); ds != tempDSL.end(); ++ds)
{
unsigned int size = (*ds)->Size();
bool remove = false;
switch ( select ) {
case EQUAL : remove = (size == i_val1); break;
case NOT_EQUAL : remove = (size != i_val1); break;
case LESS_THAN : remove = (size < i_val1); break;
case GREATER_THAN : remove = (size > i_val1); break;
case BETWEEN : remove = (size > i_val1 && size < i_val2); break;
case OUTSIDE : remove = (size < i_val1 || size > i_val2); break;
case UNKNOWN_S:
case N_S : return CpptrajState::ERR; // Sanity check
}
if (remove) {
mprintf("\t Removing set '%s' (size is %u)\n", (*ds)->legend(), size);
State.RemoveDataSet( *ds );
++Nremoved;
}
}
} else if ( criterion == SMODE ) {
MetaData::scalarMode mode_val = MetaData::ModeFromKeyword( val1 );
if (mode_val == MetaData::UNKNOWN_MODE) {
mprinterr("Error: '%s' is not a valid mode.\n", val1.c_str());
return CpptrajState::ERR;
}
for (DataSetList::const_iterator ds = tempDSL.begin(); ds != tempDSL.end(); ++ds)
{
bool remove = false;
MetaData::scalarMode mode = (*ds)->Meta().ScalarMode();
if (select == EQUAL ) remove = ( mode == mode_val );
else if (select == NOT_EQUAL) remove = ( mode != mode_val );
else return CpptrajState::ERR; // Sanity check
if (remove) {
mprintf("\t Removing set '%s' (mode is '%s')\n", (*ds)->legend(), MetaData::ModeString(mode));
State.RemoveDataSet( *ds );
++Nremoved;
}
}
} else if ( criterion == STYPE ) {
MetaData::scalarType type_val = MetaData::TypeFromKeyword( val1, MetaData::UNKNOWN_MODE );
if (type_val == MetaData::UNDEFINED) {
mprinterr("Error: '%s' is not a valid type.\n", val1.c_str());
return CpptrajState::ERR;
}
for (DataSetList::const_iterator ds = tempDSL.begin(); ds != tempDSL.end(); ++ds)
{
bool remove = false;
MetaData::scalarType type = (*ds)->Meta().ScalarType();
if (select == EQUAL ) remove = ( type == type_val );
else if (select == NOT_EQUAL) remove = ( type != type_val );
else return CpptrajState::ERR; // Sanity check
if (remove) {
mprintf("\t Removing set '%s' (typeis '%s')\n", (*ds)->legend(), MetaData::TypeString(type));
State.RemoveDataSet( *ds );
++Nremoved;
}
}
} else {
mprinterr("Internal Error: Criterion not yet implemented.\n");
return CpptrajState::ERR;
}
mprintf("\tRemoved %u of %zu sets.\n", Nremoved, tempDSL.size());
return CpptrajState::OK;
}
