Changeset 6ac7ee for src/stackclass.hpp


Ignore:
Timestamp:
Feb 9, 2009, 5:24:10 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, Candidate_v1.7.0, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
d8b94a
Parents:
124df1
git-author:
Frederik Heber <heber@…> (02/09/09 15:55:37)
git-committer:
Frederik Heber <heber@…> (02/09/09 17:24:10)
Message:

Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull

Conflicts:

molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/linkedcell.cpp
molecuilder/src/linkedcell.hpp
molecuilder/src/vector.cpp
molecuilder/src/vector.hpp
util/src/NanoCreator.c

Basically, this resulted from a lot of conversions two from spaces to one tab, which is my standard indentation. The mess was caused by eclipse auto-indenting. And in espack2:ConcaveHull was the new stuff, so all from ConcaveHull was replaced in case of doubt.
Additionally, vector had ofstream << operator instead ostream << ...

File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/stackclass.hpp

    • Property mode changed from 100644 to 100755
    r124df1 r6ac7ee  
    1010 */
    1111template <typename T> class StackClass {
    12   public:
    13   StackClass<T>(int dimension);
    14   ~StackClass<T>();
    15  
    16   bool Push(T object);
    17   T PopFirst();
    18   T PopLast();
    19   bool RemoveItem(T ptr);
    20   void ClearStack();
    21   bool IsEmpty();
    22   bool IsFull();
    23   int ItemCount();
    24   void Output(ofstream *out) const;
    25   void TestImplementation(ofstream *out, T test);
    26  
    27   private:
    28     T *StackList;  //!< the list containing the atom pointers
    29     int EntryCount;    //!< number of entries in the stack
    30     int CurrentLastEntry;  //!< Current last entry (newest item on stack)
    31     int CurrentFirstEntry;  //!< Current first entry (oldest item on stack)
    32     int NextFreeField;      //!< Current index of next free field
     12        public:
     13        StackClass<T>(int dimension);
     14        ~StackClass<T>();
     15
     16        bool Push(T object);
     17        T PopFirst();
     18        T PopLast();
     19        bool RemoveItem(T ptr);
     20        void ClearStack();
     21        bool IsEmpty();
     22        bool IsFull();
     23        int ItemCount();
     24        void Output(ofstream *out) const;
     25        void TestImplementation(ofstream *out, T test);
     26
     27        private:
     28                T *StackList;    //!< the list containing the atom pointers
     29                int EntryCount;          //!< number of entries in the stack
     30                int CurrentLastEntry;    //!< Current last entry (newest item on stack)
     31                int CurrentFirstEntry;  //!< Current first entry (oldest item on stack)
     32                int NextFreeField;                      //!< Current index of next free field
    3333};
    3434
    … …  
    3737template <typename T> StackClass<T>::StackClass(int dimension)
    3838{
    39   CurrentLastEntry = 0;
    40   CurrentFirstEntry = 0;
    41   NextFreeField = 0;
    42   EntryCount = dimension;
    43   StackList = (T *) Malloc(sizeof(T)*EntryCount, "StackClass::StackClass: **StackList");
     39        CurrentLastEntry = 0;
     40        CurrentFirstEntry = 0;
     41        NextFreeField = 0;
     42        EntryCount = dimension;
     43        StackList = (T *) Malloc(sizeof(T)*EntryCount, "StackClass::StackClass: **StackList");
    4444};
    4545
    … …  
    4848template <typename T> StackClass<T>::~StackClass()
    4949{
    50   Free((void **)&StackList, "StackClass::StackClass: **StackList");
     50        Free((void **)&StackList, "StackClass::StackClass: **StackList");
    5151};
    5252
    … …  
    5757template <typename T> bool StackClass<T>::Push(T object)
    5858{
    59   if (!IsFull()) {    // check whether free field is really not occupied
    60     StackList[NextFreeField] = object;
    61     CurrentLastEntry = NextFreeField;
    62     NextFreeField = (NextFreeField + 1) % EntryCount; // step on to next free field
    63     return true;
    64   } else {
    65     cerr << "ERROR: Stack is full, " << "Stack: CurrentLastEntry " << CurrentLastEntry<< "\tCurrentFirstEntry " << CurrentFirstEntry << "\tNextFreeField " << NextFreeField << "\tEntryCount " << EntryCount << "!" << endl;
    66     return false;
    67   }
     59        if (!IsFull()) {                // check whether free field is really not occupied
     60                StackList[NextFreeField] = object;
     61                CurrentLastEntry = NextFreeField;
     62                NextFreeField = (NextFreeField + 1) % EntryCount; // step on to next free field
     63                return true;
     64        } else {
     65                cerr << "ERROR: Stack is full, " << "Stack: CurrentLastEntry " << CurrentLastEntry<< "\tCurrentFirstEntry " << CurrentFirstEntry << "\tNextFreeField " << NextFreeField << "\tEntryCount " << EntryCount << "!" << endl;
     66                return false;
     67        }
    6868};
    6969
    … …  
    7474template <typename T> T StackClass<T>::PopFirst()
    7575{
    76   T Walker = NULL;
    77   if (!IsEmpty()) {
    78     Walker = StackList[CurrentFirstEntry];
    79     if (Walker == NULL)
    80       cerr << "ERROR: Stack's field is empty!" << endl;
    81     StackList[CurrentFirstEntry] = NULL;
    82     if (CurrentFirstEntry != CurrentLastEntry) { // hasn't last item been popped as well?
    83       CurrentFirstEntry = (CurrentFirstEntry + 1) % EntryCount; // step back from current free field to last used (somehow modulo does not work in -1)
    84     } else {
    85       CurrentFirstEntry = (CurrentFirstEntry + 1) % EntryCount; // step back from current free field to last used (somehow modulo does not work in -1)
    86       CurrentLastEntry = CurrentFirstEntry;
    87     }
    88   } else
    89     cerr << "ERROR: Stack is empty!" << endl;
    90   return Walker;
     76        T Walker = NULL;
     77        if (!IsEmpty()) {
     78                Walker = StackList[CurrentFirstEntry];
     79                if (Walker == NULL)
     80                        cerr << "ERROR: Stack's field is empty!" << endl;
     81                StackList[CurrentFirstEntry] = NULL;
     82                if (CurrentFirstEntry != CurrentLastEntry) { // hasn't last item been popped as well?
     83                        CurrentFirstEntry = (CurrentFirstEntry + 1) % EntryCount; // step back from current free field to last used (somehow modulo does not work in -1)
     84                } else {
     85                        CurrentFirstEntry = (CurrentFirstEntry + 1) % EntryCount; // step back from current free field to last used (somehow modulo does not work in -1)
     86                        CurrentLastEntry = CurrentFirstEntry;
     87                }
     88        } else
     89                cerr << "ERROR: Stack is empty!" << endl;
     90        return Walker;
    9191};
    9292
    … …  
    9797template <typename T> T StackClass<T>::PopLast()
    9898{
    99   T Walker = NULL;
    100   if (!IsEmpty()) {
    101     Walker = StackList[CurrentLastEntry];
    102     StackList[CurrentLastEntry] = NULL;
    103     if (Walker == NULL)
    104       cerr << "ERROR: Stack's field is empty!" << endl;
    105     NextFreeField = CurrentLastEntry;
    106     if (CurrentLastEntry != CurrentFirstEntry)  // has there been more than one item on stack
    107       CurrentLastEntry = (CurrentLastEntry + (EntryCount-1)) % EntryCount; // step back from current free field to last (modulo does not work in -1, thus go EntryCount-1 instead)
    108   } else {
    109     cerr << "ERROR: Stack is empty!" << endl;
    110   }
    111   return Walker;
     99        T Walker = NULL;
     100        if (!IsEmpty()) {
     101                Walker = StackList[CurrentLastEntry];
     102                StackList[CurrentLastEntry] = NULL;
     103                if (Walker == NULL)
     104                        cerr << "ERROR: Stack's field is empty!" << endl;
     105                NextFreeField = CurrentLastEntry;
     106                if (CurrentLastEntry != CurrentFirstEntry)      // has there been more than one item on stack
     107                        CurrentLastEntry = (CurrentLastEntry + (EntryCount-1)) % EntryCount; // step back from current free field to last (modulo does not work in -1, thus go EntryCount-1 instead)
     108        } else {
     109                cerr << "ERROR: Stack is empty!" << endl;
     110        }
     111        return Walker;
    112112};
    113113
    … …  
    120120template <typename T> bool StackClass<T>::RemoveItem(T ptr)
    121121{
    122   bool found = false;
    123   cout << Verbose(5) << "First " << CurrentFirstEntry<< "\tLast " << CurrentLastEntry<< "\tNext " << NextFreeField<< "\tCount " << EntryCount<< "." << endl;
    124   int i=CurrentFirstEntry;
    125   if (!IsEmpty())
    126     do {
    127       if (StackList[i] == ptr) {  // if item found, remove
    128         cout << Verbose(5) << "Item " << *ptr << " was number " << i << " on stack, removing it." << endl;
    129         found = true;
    130         StackList[i] = NULL;
    131       }
    132       if ((found) && (StackList[i] != NULL)) {  // means we have to shift (and not the removed item)
    133         if (i == 0) { // we are down to first item in stack, have to put onto last item
    134           cout << Verbose(5) << "Shifting item 0 to place " << EntryCount-1 << "." << endl;
    135           StackList[EntryCount-1] = StackList[0];
    136         } else {
    137           cout << Verbose(5) << "Shifting item " << i << " to place " << i-1 << "." << endl;
    138           StackList[i-1] = StackList[i];
    139         }
    140       }
    141       i=((i + 1) % EntryCount); // step on
    142     } while (i!=NextFreeField);
    143   else
    144     cerr << "ERROR: Stack is already empty!" << endl;
    145   if (found) {
    146     NextFreeField = CurrentLastEntry;
    147     if (CurrentLastEntry != CurrentFirstEntry)  // has there been more than one item on stack
    148       CurrentLastEntry = (CurrentLastEntry + (EntryCount-1)) % EntryCount;
    149   }
    150   return found;
     122        bool found = false;
     123        cout << Verbose(5) << "First " << CurrentFirstEntry<< "\tLast " << CurrentLastEntry<< "\tNext " << NextFreeField<< "\tCount " << EntryCount<< "." << endl;
     124        int i=CurrentFirstEntry;
     125        if (!IsEmpty())
     126                do {
     127                        if (StackList[i] == ptr) {      // if item found, remove
     128                                cout << Verbose(5) << "Item " << *ptr << " was number " << i << " on stack, removing it." << endl;
     129                                found = true;
     130                                StackList[i] = NULL;
     131                        }
     132                        if ((found) && (StackList[i] != NULL)) {        // means we have to shift (and not the removed item)
     133                                if (i == 0) { // we are down to first item in stack, have to put onto last item
     134                                        cout << Verbose(5) << "Shifting item 0 to place " << EntryCount-1 << "." << endl;
     135                                        StackList[EntryCount-1] = StackList[0];
     136                                } else {
     137                                        cout << Verbose(5) << "Shifting item " << i << " to place " << i-1 << "." << endl;
     138                                        StackList[i-1] = StackList[i];
     139                                }
     140                        }
     141                        i=((i + 1) % EntryCount); // step on
     142                } while (i!=NextFreeField);
     143        else
     144                cerr << "ERROR: Stack is already empty!" << endl;
     145        if (found) {
     146                NextFreeField = CurrentLastEntry;
     147                if (CurrentLastEntry != CurrentFirstEntry)      // has there been more than one item on stack
     148                        CurrentLastEntry = (CurrentLastEntry + (EntryCount-1)) % EntryCount;
     149        }
     150        return found;
    151151};
    152152
    153153/** Test the functionality of the stack.
    154154 * \param *out ofstream for debugging
    155  * \param *test one item to put on stack 
     155 * \param *test one item to put on stack
    156156 * \return true - all tests worked correctly
    157157 */
    158158template <typename T> void StackClass<T>::TestImplementation(ofstream *out, T test)
    159159{
    160   T Walker = test;
    161   *out << Verbose(1) << "Testing the snake stack..." << endl;
    162   for (int i=0;i<EntryCount;i++) {
    163     *out << Verbose(2) << "Filling " << i << "th element of stack." << endl;
    164     Push(Walker);
    165     Walker=Walker->next;
    166   }
    167   *out << endl;
    168   Output(out);
    169   if (IsFull())
    170     *out << "Stack is full as supposed to be!" << endl;
    171   else
    172     *out << "ERROR: Stack is not as full as supposed to be!" << endl;
    173   //if (StackList[(EntryCount+1)/2] != NULL) {
    174     *out << "Removing element in the middle ..." << endl;
    175     RemoveItem(StackList[(EntryCount+1)/2]);
    176     Output(out);
    177   //}
    178   //if (StackList[CurrentFirstEntry] != NULL) {
    179     *out << "Removing first element  ..." << endl;
    180     RemoveItem(StackList[CurrentFirstEntry]);
    181     Output(out);
    182   //}
    183   //if (StackList[CurrentLastEntry] != NULL) {
    184     *out << "Removing last element ..." << endl;
    185     RemoveItem(StackList[CurrentLastEntry]);
    186     Output(out);
    187   //}
    188   *out << "Clearing stack ... " << endl; 
    189   ClearStack();
    190   Output(out);
    191   if (IsEmpty())
    192     *out << "Stack is empty as supposed to be!" << endl;
    193   else
    194     *out << "ERROR: Stack is not as empty as supposed to be!" << endl;
    195   *out << "done." << endl;
     160        T Walker = test;
     161        *out << Verbose(1) << "Testing the snake stack..." << endl;
     162        for (int i=0;i<EntryCount;i++) {
     163                *out << Verbose(2) << "Filling " << i << "th element of stack." << endl;
     164                Push(Walker);
     165                Walker=Walker->next;
     166        }
     167        *out << endl;
     168        Output(out);
     169        if (IsFull())
     170                *out << "Stack is full as supposed to be!" << endl;
     171        else
     172                *out << "ERROR: Stack is not as full as supposed to be!" << endl;
     173        //if (StackList[(EntryCount+1)/2] != NULL) {
     174                *out << "Removing element in the middle ..." << endl;
     175                RemoveItem(StackList[(EntryCount+1)/2]);
     176                Output(out);
     177        //}
     178        //if (StackList[CurrentFirstEntry] != NULL) {
     179                *out << "Removing first element ..." << endl;
     180                RemoveItem(StackList[CurrentFirstEntry]);
     181                Output(out);
     182        //}
     183        //if (StackList[CurrentLastEntry] != NULL) {
     184                *out << "Removing last element ..." << endl;
     185                RemoveItem(StackList[CurrentLastEntry]);
     186                Output(out);
     187        //}
     188        *out << "Clearing stack ... " << endl;
     189        ClearStack();
     190        Output(out);
     191        if (IsEmpty())
     192                *out << "Stack is empty as supposed to be!" << endl;
     193        else
     194                *out << "ERROR: Stack is not as empty as supposed to be!" << endl;
     195        *out << "done." << endl;
    196196};
    197197
    … …  
    201201template <typename T> void StackClass<T>::Output(ofstream *out) const
    202202{
    203   *out << "Contents of Stack: ";
    204   for(int i=0;i<EntryCount;i++) {
    205     *out << "\t";
    206     if (i == CurrentFirstEntry)
    207       *out << " 1";
    208     if  (i == CurrentLastEntry)
    209       *out << " "<< EntryCount;
    210     if (i ==  NextFreeField)
    211       *out << " F";
    212     *out << ": " << StackList[i];
    213   }
    214   *out << endl;
     203        *out << "Contents of Stack: ";
     204        for(int i=0;i<EntryCount;i++) {
     205                *out << "\t";
     206                if (i == CurrentFirstEntry)
     207                        *out << " 1";
     208                if      (i == CurrentLastEntry)
     209                        *out << " "<< EntryCount;
     210                if (i ==        NextFreeField)
     211                        *out << " F";
     212                *out << ": " << StackList[i];
     213        }
     214        *out << endl;
    215215};
    216216
    … …  
    222222template <typename T> bool StackClass<T>::IsEmpty()
    223223{
    224   return((NextFreeField == CurrentFirstEntry) && (CurrentLastEntry == CurrentFirstEntry));
     224        return((NextFreeField == CurrentFirstEntry) && (CurrentLastEntry == CurrentFirstEntry));
    225225};
    226226
    … …  
    232232template <typename T> bool StackClass<T>::IsFull()
    233233{
    234   return((NextFreeField == CurrentFirstEntry) && (CurrentLastEntry != CurrentFirstEntry));
     234        return((NextFreeField == CurrentFirstEntry) && (CurrentLastEntry != CurrentFirstEntry));
    235235};
    236236
    … …  
    242242template <typename T> int StackClass<T>::ItemCount()
    243243{
    244   //cout << "Stack: CurrentLastEntry " << CurrentLastEntry<< "\tCurrentFirstEntry " << CurrentFirstEntry << "\tEntryCount " << EntryCount << "." << endl;
    245   return((NextFreeField + (EntryCount - CurrentFirstEntry)) % EntryCount);
     244        //cout << "Stack: CurrentLastEntry " << CurrentLastEntry<< "\tCurrentFirstEntry " << CurrentFirstEntry << "\tEntryCount " << EntryCount << "." << endl;
     245        return((NextFreeField + (EntryCount - CurrentFirstEntry)) % EntryCount);
    246246};
    247247
    … …  
    251251template <typename T> void StackClass<T>::ClearStack()
    252252{
    253   for(int i=EntryCount; i--;)
    254     StackList[i] = NULL;
    255   CurrentFirstEntry = 0;
    256   CurrentLastEntry = 0;
    257   NextFreeField = 0;
     253        for(int i=EntryCount; i--;)
     254                StackList[i] = NULL;
     255        CurrentFirstEntry = 0;
     256        CurrentLastEntry = 0;
     257        NextFreeField = 0;
    258258};
    259259
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