// Action_Energy::Init()
Action::RetType Action_Energy::Init(ArgList& actionArgs, ActionInit& init, int debugIn)
{
ENE_.SetDebug( debugIn );
// Get keywords
DataFile* outfile = init.DFL().AddDataFile( actionArgs.GetStringKey("out"), actionArgs );
// Which terms will be calculated?
Ecalcs_.clear();
if (actionArgs.hasKey("bond")) Ecalcs_.push_back(BND);
if (actionArgs.hasKey("angle")) Ecalcs_.push_back(ANG);
if (actionArgs.hasKey("dihedral")) Ecalcs_.push_back(DIH);
if (actionArgs.hasKey("nb14")) Ecalcs_.push_back(N14);
if (actionArgs.hasKey("nonbond")) Ecalcs_.push_back(NBD);
// If nothing is selected, select all.
if (Ecalcs_.empty()) {
for (int c = 0; c <= (int)NBD; c++)
Ecalcs_.push_back( (CalcType)c );
}
// Get Masks
Mask1_.SetMaskString( actionArgs.GetMaskNext() );
// DataSet
std::string setname = actionArgs.GetStringNext();
if (setname.empty())
setname = init.DSL().GenerateDefaultName("ENE");
Energy_.clear();
Energy_.resize( (int)TOTAL + 1, 0 );
for (calc_it calc = Ecalcs_.begin(); calc != Ecalcs_.end(); ++calc)
{
switch (*calc) {
case BND: if (AddSet(BOND, init.DSL(), outfile, setname)) return Action::ERR; break;
case ANG: if (AddSet(ANGLE, init.DSL(), outfile, setname)) return Action::ERR; break;
case DIH: if (AddSet(DIHEDRAL, init.DSL(), outfile, setname)) return Action::ERR; break;
case N14:
if (AddSet(V14, init.DSL(), outfile, setname)) return Action::ERR;
if (AddSet(Q14, init.DSL(), outfile, setname)) return Action::ERR;
break;
case NBD:
if (AddSet(VDW, init.DSL(), outfile, setname)) return Action::ERR;
if (AddSet(ELEC, init.DSL(), outfile, setname)) return Action::ERR;
break;
}
}
// if (Ecalcs_.size() > 1) {
if (AddSet(TOTAL, init.DSL(), outfile, setname)) return Action::ERR;
// }
mprintf(" ENERGY: Calculating energy for atoms in mask '%s'\n", Mask1_.MaskString());
mprintf("\tCalculating terms:");
for (calc_it calc = Ecalcs_.begin(); calc != Ecalcs_.end(); ++calc)
mprintf(" %s", Cstring[*calc]);
mprintf("\n");
return Action::OK;
}
/** Add a DataSet with given MetaData; if no name given create a name based on
* defaultName and DataSet position.
*/
DataSet* DataSetList::AddSet( DataSet::DataType inType, MetaData const& metaIn,
const char* defaultName )
{
MetaData meta = metaIn;
if (meta.Name().empty()) {
if (defaultName != 0)
meta.SetName( GenerateDefaultName(defaultName) );
}
return AddSet( inType, meta );
}
void IPCSetEvent(int argc, char** argv, PLSOBJECT Object)
{
char* Name = argv[0];
char* Method = argv[1];
LSOBJECT setobject;
if((setobject.Ptr = FindSet(Name)) == 0)
{
setobject.Ptr = new LSSet();
AddSet(Name, (LSSet*)setobject.Ptr);
}
pSetType->GetMethodEx(setobject.GetObjectData(), Method, argc - 2, &argv[2]);
}
/** Search for a COORDS DataSet. If no name specified, create a default
* COORDS DataSet named _DEFAULTCRD_.
*/
DataSet* DataSetList::FindCoordsSet(std::string const& setname) {
DataSet* outset = 0;
if (setname.empty()) {
// crdset not given, search for the default set
outset = FindSetOfType("_DEFAULTCRD_", DataSet::COORDS);
if (outset == 0) {
// No default set; create one.
outset = AddSet(DataSet::COORDS, "_DEFAULTCRD_", "CRD");
}
} else {
DataSetList dslist = SelectGroupSets(setname, DataSet::COORDINATES);
if (!dslist.empty()) outset = dslist[0];
}
return outset;
}
/** Initialize sander energy for current top/reference, set up data sets. */
int Action_Esander::InitForRef() {
# ifdef MPI
if ( SANDER_.Initialize( *currentParm_, refFrame_, trajComm_ ) ) return 1;
# else
if ( SANDER_.Initialize( *currentParm_, refFrame_ ) ) return 1;
# endif
// Set up DataSets
int Nsets = (int)Energy_Sander::N_ENERGYTYPES;
for (int ie = 0; ie != Nsets; ie++) {
Energy_Sander::Etype etype = (Energy_Sander::Etype)ie;
if (SANDER_.IsActive( etype )) {
if (AddSet( etype, Init_.DSL(), outfile_, setname_ )) return 1;
}
}
mprintf("\tSaving the following energy terms:\n");
for (int ie = 0; ie != Nsets; ie++)
if (Esets_[ie] != 0)
mprintf("\t %s in '%s'\n", Energy_Sander::Elabel((Energy_Sander::Etype)ie),
Esets_[ie]->legend());
return 0;
}
/** Given an array of already set up data sets (from e.g. input data files)
* and optional X values, add the sets to this list if they do not exist
* or append any existing sets.
*/
int DataSetList::AddOrAppendSets(std::string const& XlabelIn, Darray const& Xvals,
DataListType const& Sets)
{
if (debug_ > 0)
mprintf("DEBUG: Calling AddOrAppendSets for %zu sets, %zu X values, Xlabel= %s.\n",
Sets.size(), Xvals.size(), XlabelIn.c_str());
if (Sets.empty()) return 0; // No error for now.
// If no X label assume 'Frame' for backwards compat.
std::string Xlabel;
if (XlabelIn.empty())
Xlabel.assign("Frame");
else
Xlabel = XlabelIn;
Dimension Xdim;
// First determine if X values increase monotonically with a regular step
bool isMonotonic = true;
double xstep = 1.0;
if (Xvals.size() > 1) {
xstep = (Xvals.back() - Xvals.front()) / (double)(Xvals.size() - 1);
for (Darray::const_iterator X = Xvals.begin()+2; X != Xvals.end(); ++X)
if ((*X - *(X-1)) - xstep > Constants::SMALL) {
isMonotonic = false;
break;
}
// Set dim even for non-monotonic sets so Label is correct. FIXME is this ok?
Xdim = Dimension( Xvals.front(), xstep, Xlabel );
} else
// No X values. set generic X dim.
Xdim = Dimension(1.0, 1.0, Xlabel);
if (debug_ > 0) {
mprintf("DEBUG: xstep %g xmin %g\n", Xdim.Step(), Xdim.Min());
if (isMonotonic) mprintf("DEBUG: Xdim is monotonic.\n");
}
for (const_iterator ds = Sets.begin(); ds != Sets.end(); ++ds) {
if (*ds == 0) continue; // TODO: Warn about blanks?
if (debug_ > 0) mprintf("DEBUG: AddOrAppend set '%s'", (*ds)->legend());
if (isMonotonic) (*ds)->SetDim(Dimension::X, Xdim);
DataSet* existingSet = CheckForSet( (*ds)->Meta() );
if (existingSet == 0) {
// New set. If set is scalar 1D but X values are not monotonic,
// convert to XY mesh if necessary.
if ( !isMonotonic &&
(*ds)->Group() == DataSet::SCALAR_1D &&
(*ds)->Type() != DataSet::XYMESH )
{
DataSet* xyptr = AddSet( DataSet::XYMESH, (*ds)->Meta() );
if (xyptr == 0) {
mprinterr("Error: Could not convert set %s to XY mesh.\n", (*ds)->legend());
continue; // TODO exit instead?
}
if ( (*ds)->Size() != Xvals.size() ) { // Sanity check
mprinterr("Error: # of X values does not match set %s size.\n", (*ds)->legend());
continue;
}
DataSet_1D const& set = static_cast<DataSet_1D const&>( *(*ds) );
DataSet_Mesh& xy = static_cast<DataSet_Mesh&>( *xyptr );
for (unsigned int i = 0; i != set.Size(); i++)
xy.AddXY( Xvals[i], set.Dval(i) );
xy.SetDim(Dimension::X, Xdim);
if (debug_ > 0) mprintf(", New set, converted to XY-MESH\n");
// Free memory since set has now been converted.
delete *ds;
} else { // No conversion. Just add.
(*ds)->SetDim(Dimension::X, Xdim);
AddSet( *ds );
if (debug_ > 0) mprintf(", New set\n");
}
} else {
if (debug_ > 0) mprintf(", appending to existing set\n");
// Set exists. Try to append this set to existing set.
bool canAppend = true;
if ( (*ds)->Group() == DataSet::GENERIC ) {
// For GENERIC sets, base Type must match. // TODO: Should this logic be in DataSets?
if ( (*ds)->Type() != existingSet->Type() )
canAppend = false;
} else {
// For non-GENERIC sets, Group must match
if ( (*ds)->Group() != existingSet->Group() )
canAppend = false;
}
if (!canAppend)
mprinterr("Error: Cannot append set of type %s to set of type %s\n",
DataArray[(*ds)->Type()].Description,
DataArray[existingSet->Type()].Description);
// If cannot append or attempt to append fails, rename and add as new set.
if (!canAppend || existingSet->Append( *ds )) { // TODO Dimension check?
if (canAppend)
mprintf("Warning: Append currently not supported for type %s\n",
DataArray[existingSet->Type()].Description);
MetaData md = (*ds)->Meta();
md.SetName( GenerateDefaultName("X") );
mprintf("Warning: Renaming %s to %s\n", (*ds)->Meta().PrintName().c_str(),
md.PrintName().c_str());
(*ds)->SetMeta( md );
AddSet( *ds );
} else // Set was appended to existing set; memory can be freed.
delete *ds;
}
} // END loop over input sets
return 0;
}
void EditPatchMod::NewSetFromCurSel(TSTR &setName)
{
MaybeFixupNamedSels();
ModContextList mcList;
INodeTab nodes;
if (!ip)
return;
ip->GetModContexts(mcList, nodes);
for (int i = 0; i < mcList.Count(); i++)
{
EditPatchData *patchData =(EditPatchData*)mcList[i]->localData;
if (!patchData)
continue;
RPatchMesh *rpatch;
PatchMesh *patch = patchData->TempData(this)->GetPatch(ip->GetTime(), rpatch);
if (!patch)
continue;
GenericNamedSelSetList &sel = patchData->GetSelSet(this);
BitArray *exist = sel.GetSet(setName);
switch (selLevel)
{
case EP_VERTEX:
if (exist)
{
*exist = patch->vertSel;
} else
{
patchData->vselSet.AppendSet(patch->vertSel, 0, setName);
}
break;
case EP_PATCH:
if (exist)
{
*exist = patch->patchSel;
} else
{
patchData->pselSet.AppendSet(patch->patchSel, 0, setName);
}
break;
case EP_EDGE:
if (exist)
{
*exist = patch->edgeSel;
} else
{
patchData->eselSet.AppendSet(patch->edgeSel, 0, setName);
}
break;
}
}
int index = FindSet(setName, selLevel);
if (index < 0)
AddSet(setName, selLevel);
nodes.DisposeTemporary();
}
bool IPCSetType::GetMethod(LSOBJECTDATA &ObjectData, PLSTYPEMETHOD pMethod, int argc, char *argv[])
{
/*******************************************
* Parameters
*
* [in] LSOBJECTDATA ObjectData: ObjectData is a 32-bit value that can be accessed in any number of different ways
* by way of union. Most commonly, ObjectData.Ptr, ObjectData.DWord, or ObjectData.CharPtr are useful. This
* value is the representation of some object of this object type. "ipcfoo" works on IPCFoo*
* so ObjectData is a IPCFoo*
*
* [in] PLSTYPEMETHOD pMethod: pMethod is a pointer to the information on the method to be retrieved, including its
* Name and ID. We use the ID in a switch statement in order to quickly process the method, since the Name
* has already been resolved by the LavishScript engine.
*
* [in] int argc, char *argv[]: argc and argv are *nearly* standard C console program parameters. The difference here
* is that the name of the method is NOT given as the first argument (in contrast to LavishScript commands).
* Therefore, argc is 0 unless arguments are specifically given to the method retrieval.
*/
/*******************************************
* Return Value
*
* The return value for this function is very simple. If the method execution fails for any reason, OR the object
* is destroyed during execution, return false. Otherwise, return true (indicating the object still exists AND
* the method execution succeeded).
*
*/
/* Validate the pointer */
if (!pSet)
return false;
/* Perform the given member retrieval */
switch(pMethod->ID)
{
case Add:
if(argc)
{
pSet->Set->AddItem(argv[0]);
SetRelay(pSet->IPCName, "Add", argc, argv);
return true;
}
return false;
case Remove:
if(argc)
{
pSet->Set->RemoveItem(argv[0]);
SetRelay(pSet->IPCName, "Remove", argc, argv);
return true;
}
return false;
case Set:
case SetIPCName:
if(argc)
{
LSSet *newSet;
strncpy(pSet->IPCName, argv[0], sizeof(pSet->IPCName));
if((newSet=FindSet(pSet->IPCName))==0)
{
newSet = new LSSet();
AddSet(pSet->IPCName, newSet);
}
pSet->Set = newSet;
return true;
}
return false;
case GetIterator:
LSOBJECT iteratorobject;
if(argc)
{
//printf("%s %s %d", argv[0], pSet->IPCName, pSet->Set->GetContainerUsed());
if(pLSInterface->DataParse(argv[0], iteratorobject))
{
return InitializeIterator(pSet->Set, 0, iteratorobject);
}
}
return false;
}
return false;
}
bool FilesSets::Load(const wxString& filename)
{
DeleteAllSets();
wxXmlDocument *xmldoc = WXDEBUG_NEW wxXmlDocument(filename);
wxXmlNode *root;
if ( !xmldoc->IsOk() )
{
m_error = 100;
delete(xmldoc);
return false;
}
// checking data
root = xmldoc->GetRoot();
if (( root->GetType() != wxXML_ELEMENT_NODE ) ||
( root->GetName().Cmp(wxT("sets")) != 0 ))
{
m_error = 1;
delete(xmldoc);
wxLogError(filename + wxT(": Invalid document type. The root node must be 'sets'."));
return false;
}
wxXmlNode *set = root->GetChildren();
wxString value;
long lid;
FilesSet *fset;
while (set != NULL)
{
if (( set->GetType() == wxXML_ELEMENT_NODE ) &&
( set->GetName().Cmp(wxT("set")) == 0 ) &&
(( !set->GetPropVal(wxT("id"), &value) ) ||
( !value.ToLong(&lid) ) || ( lid <= 0 )))
{
m_error = 2;
delete(xmldoc);
wxLogError(filename + wxT(": Attribute 'id' having positive numeric value must be specified for each element 'set'."));
return false;
}
if (( set->GetType() != wxXML_ELEMENT_NODE ) ||
( set->GetName().Cmp(wxT("set")) != 0 ))
{
set = set->GetNext();
continue;
}
fset = WXDEBUG_NEW FilesSet();
fset->SetId( (int) lid );
m_error = CheckFilesSet(set, fset, filename);
if (m_error)
{
delete(fset);
delete(xmldoc);
return false;
}
if ( !AddSet(fset) )
{
m_error = -3;
delete(fset);
delete(xmldoc);
wxLogError(filename + wxT(": Duplicate set for id = %d."), lid);
return false;
}
set = set->GetNext();
}
delete(xmldoc);
return true;
}
int PPF_Print( MPI_Comm comm, const char * string, ... )
{
va_list args;
static int inited;
static MPI_Op PTC_Print_reduce;
static size_t linesize, blocksize;
static MPI_Datatype type;
static char * src_block;
static char * dest_block;
static int rank, size;
int i;
int localrank;
int status;
LineData * src_lines;
LineData * dest_lines;
LineData * pline;
char * ptoken, * plast;
char temp[PPF_MAXLINE];
if( !inited ) {
status = MPI_Op_create( PrintReduceOp, 1, &PTC_Print_reduce );
#ifdef _MSC_VER
_set_printf_count_output(1);
#endif
if( status != MPI_SUCCESS ) {
fprintf( stderr, "Couldn't create Print Reduce op %d\n",
status );
return status;
}
/* Use comm world so that output is identified in terms of
* global rank. (Should this be optional?)
*/
MPI_Comm_rank( MPI_COMM_WORLD, &rank );
MPI_Comm_size( MPI_COMM_WORLD, &size );
/* Get enough memory to hold size line entries +
* count field + and linesize field
*/
linesize = CLOSED_SET_BYTES( size ) + PPF_MAXLINE;
blocksize = linesize * size + 2 * sizeof(int);
src_block = malloc( blocksize );
dest_block = malloc( blocksize );
/* Store the number of entries and linesize (since set size
* varies from run to run)
*/
((int*)src_block)[0] = size;
((int*)src_block)[1] = linesize;
MPI_Type_contiguous( blocksize, MPI_BYTE, &type );
MPI_Type_commit( &type );
inited = 1;
}
/* Initialize the line entries */
src_lines = (LineData *)(src_block + 2 * sizeof(int));
dest_lines = (LineData *)(dest_block + 2 * sizeof(int));
#if 0
/* Truncate the string if necessary */
if( strlen( string ) >= PPF_MAXLINE ) {
string[PPF_MAXLINE - 1] = '\0';
}
#endif
/* Search for the pattern that means "put the node numbers here".
* Since it will begin with at %, we have to convert it to
* something else so sprintf doesn't try to interpret it. When
* we finally do the printout, we'll replace the placeholder
* with the node list. Likewise, since we're processing
* this string twice through printf-like functions, any %%
* patterns the user put in will get eaten up. To prevent
* that, we change %% to something else before the first
* pass through sprintf and change it back before the second.
*/
if( string != NULL ) { /* Don't try formatting an empty string */
/* First copy into a buffer that we can modify */
strncpy( temp, string, PPF_MAXLINE );
temp[PPF_MAXLINE-1] = '\0';
for( ptoken = strchr( temp, '%' );
ptoken != NULL;
ptoken = strchr( ptoken + 2, '%' ) ) {
if( ptoken[1] == NODECHAR ) {
*ptoken = PERCENTSUB;
ptoken[1] = NODESUB;
} else if( ptoken[1] == '%' ) {
*ptoken = ptoken[1] = PERCENTSUB;
}
}
}
/* Initialize all the strings and sets in our list to be
* empty, except the one for this node. That gets
* initialized with the formatted string that the user
* requested and the nodeset consisting of this node.
*/
va_start( args, string );
for( pline = src_lines, i = 0; i < size;
pline += linesize, i++ ) {
InitSet( size, pline+SET );
if( i == rank ) {
if( string != NULL ) {
vsprintf( pline+TEXT, temp, args );
AddSet( pline+SET, rank );
}
/* If string is NULL, this node won't appear in
* the set for any string entry, so it won't
* produce any output.
*/
}
}
va_end( args );
MPI_Reduce( src_block, dest_block, 1, type, PTC_Print_reduce, 0, comm );
/* For this test, we use to input comm rank so that we're sure
* "node 0" is in this group.
*/
MPI_Comm_rank( comm, &localrank );
if( localrank == 0 ) {
PrintResult( dest_lines, size, linesize );
}
return MPI_SUCCESS;
}
bool OnGossipSelect(Player *player, Creature *creature, uint32 sender, uint32 action )
{
if (!player->getAttackers().empty())
{
creature->MonsterWhisper(MSG_ERR_INCOMBAT, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
return false;
}
switch (action)
{
case 2:
player->AddItem(bag, 4);
player->CLOSE_GOSSIP_MENU();
break;
case 3:
player->SetHealth(player->GetMaxHealth());
player->CLOSE_GOSSIP_MENU();
break;
case 4:
player->UpdateSkillsToMaxSkillsForLevel();
player->CLOSE_GOSSIP_MENU();
break;
case 5:
if (player->HasAura(15007))
{
creature->MonsterWhisper(MSG_ERR_AURA, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}else
{
player->RemoveAllAuras();
player->CLOSE_GOSSIP_MENU();
player->RemoveAllSpellCooldown();
}
break;
case 6:
player->SetSkill(762, 6, 450, 450);
player->learnSpell(54197, true);
player->CLOSE_GOSSIP_MENU();
break;
case 7:
AddSet(player, warlockItem);
player->CLOSE_GOSSIP_MENU();
break;
case 8:
AddSet(player, warriorItem);
break;
case 9:
AddSet(player, druidRestorItem);
break;
case 10:
AddSet(player, druidBalanceItem);
break;
case 11:
AddSet(player, druidFeralItem);
break;
case 12:
AddSet(player, priestDiscItem);
break;
case 13:
AddSet(player, priestShadowItem);
break;
case 14:
AddSet(player, mageItem);
break;
case 15:
AddSet(player, paladinHolyItem);
break;
case 16:
AddSet(player, paladinMeleeItem);
break;
case 17:
AddSet(player, rogueItem);
break;
case 18:
AddSet(player, deathknightItem);
break;
case 19:
AddSet(player, shamanMeleeItem);
break;
case 20:
AddSet(player, shamanRestorItem);
break;
case 21:
AddSet(player, shamanElementalItem);
break;
case 22:
AddSet(player, hunterItem);
case 23:
if (player->GetArenaPoints() < CONST_ARENA_POINT_1)
{
creature->MonsterWhisper(MSG_ERR_ARENA_POINT, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}else{
// Делаем Ренейм
player->SetAtLoginFlag(AT_LOGIN_RENAME);
player->ModifyArenaPoints(-CONST_ARENA_POINT_1);
creature->MonsterWhisper(MSG_COMPLETE_RENAME, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}
break;
case 24:
if (player->GetArenaPoints() < CONST_ARENA_POINT_1)
{
creature->MonsterWhisper(MSG_ERR_ARENA_POINT, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}else{
// Делаем Смену внешности
player->SetAtLoginFlag(AT_LOGIN_CUSTOMIZE);
player->ModifyArenaPoints(-CONST_ARENA_POINT_1);
creature->MonsterWhisper(MSG_CUSTOMIZE_COMPLETE, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}
break;
case 25:
if (player->GetArenaPoints() < CONST_ARENA_POINT_2)
{
creature->MonsterWhisper(MSG_ERR_ARENA_POINT, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}else{
// Делаем Смену фракции
player->SetAtLoginFlag(AT_LOGIN_CHANGE_FACTION);
player->ModifyArenaPoints(-CONST_ARENA_POINT_2);
creature->MonsterWhisper(MSG_CHANGE_FACTION_COMPLETE, player->GetGUID());
player->CLOSE_GOSSIP_MENU();
}
break;
}
return true;
}
