amaunz / libfminer

Fminer library

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libfminer / graphstate.cpp
100644 1356 lines (1223 sloc) 42.894 kb
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// graphstate.cpp
//
// © 2008 by Andreas Maunz, andreas@maunz.de, jul 2008
// Siegfried Nijssen, snijssen@liacs.nl, jan 2004.
 
/*
This file is part of LibFminer (libfminer).
 
LibFminer is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
 
LibFminer is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
 
You should have received a copy of the GNU General Public License
along with LibFminer. If not, see <http://www.gnu.org/licenses/>.
*/
 
#include <queue>
#include <sstream>
 
#include "graphstate.h"
#include "database.h"
#include "misc.h"
 
 
namespace fm {
    extern ChisqConstraint* chisq;
    extern bool console_out;
    extern bool gsp_out;
    extern bool do_yaml;
    extern bool pvalues;
    extern Database* database;
    extern GraphState* graphstate;
}
 
GraphState::GraphState () {
}
 
void GraphState::init () {
  edgessize = 0;
  closecount = 0;
 
  /*
deletededges.clear();
if (treetuples != NULL) treetuples->clear();
if (closetuples != NULL) closetuples->clear();
nodesinpreorder.clear();
*/
 
  // 1 extra element on this stack in order to always be able to check the previous element
  vector_push_back ( GSDeletedEdge, deletededges, deletededge );
  deletededge.tonode = deletededge.fromnode = NONODE;
}
 
void GraphState::insertNode ( NodeLabel nodelabel, short unsigned int maxdegree ) {
  vector_push_back ( GSNode, nodes, node );
  node.label = nodelabel;
  node.maxdegree = maxdegree;
}
 
void GraphState::insertStartNode ( NodeLabel nodelabel ) {
  insertNode ( nodelabel, (short unsigned int) (-1) );
}
 
void GraphState::deleteNode2 () {
  nodes.pop_back ();
}
 
void GraphState::deleteStartNode () {
  deleteNode2 ();
}
 
void GraphState::insertNode ( int from, EdgeLabel edgelabel, short unsigned int maxdegree ) {
  NodeLabel fromlabel = nodes[from].label, tolabel;
  DatabaseEdgeLabel &dataedgelabel = fm::database->edgelabels[fm::database->edgelabelsindexes[edgelabel]];
  if ( dataedgelabel.fromnodelabel == fromlabel )
    tolabel = dataedgelabel.tonodelabel;
  else
    tolabel = dataedgelabel.fromnodelabel;
  // insert into graph
  int to = nodes.size ();
  
  insertNode ( tolabel, maxdegree );
  nodes[to].edges.push_back ( GSEdge ( from, nodes[from].edges.size (), edgelabel ) );
  nodes[from].edges.push_back ( GSEdge ( to, nodes[to].edges.size () - 1, edgelabel ) );
  edgessize++;
}
 
void GraphState::deleteNode () {
 
  GSEdge &gsedge = nodes.back ().edges[0];
  int from = gsedge.tonode;
  nodes[from].edges.pop_back ();
  deleteNode2 ();
  edgessize--;
}
 
void GraphState::insertEdge ( int from, int to, EdgeLabel edgelabel ) {
  from--; to--;
  nodes[to].edges.push_back ( GSEdge ( from, nodes[from].edges.size (), edgelabel, true ) );
  nodes[from].edges.push_back ( GSEdge ( to, nodes[to].edges.size () - 1, edgelabel, true ) );
  edgessize++;
}
 
void GraphState::deleteEdge ( int from, int to ) {
  from--; to--;
  //EdgeLabel edgelabel = nodes[to].edges.back ().edgelabel;
  nodes[to].edges.pop_back ();
  nodes[from].edges.pop_back ();
  edgessize--;
}
 
void GraphState::deleteEdge ( GSEdge &edge ) {
  vector_push_back ( GSDeletedEdge, deletededges, deletededge );
  // fill in the info about the deleted edge
  deletededge.tonode = edge.tonode;
  deletededge.edgelabel = edge.edgelabel;
  deletededge.postonode = edge.postonode;
  deletededge.cyclemark = edge.cyclemark;
  deletededge.close = edge.close;
  GSEdge &edge2 = nodes[edge.tonode].edges[edge.postonode];
  deletededge.fromnode = edge2.tonode;
  deletededge.posfromnode = edge2.postonode;
  // remove the edge from the state
  if ( (int) nodes[deletededge.tonode].edges.size () != deletededge.postonode + 1 ) {
    // edge2 not the last
    GSEdge &edge3 = nodes[deletededge.tonode].edges.back ();
    nodes[edge3.tonode].edges[edge3.postonode].postonode = deletededge.postonode;
    swap ( edge2, edge3 );
  }
  
  nodes[deletededge.tonode].edges.pop_back ();
  
  if ( (int) nodes[deletededge.fromnode].edges.size () != deletededge.posfromnode + 1 ) {
    GSEdge &edge3 = nodes[deletededge.fromnode].edges.back ();
    nodes[edge3.tonode].edges[edge3.postonode].postonode = deletededge.posfromnode;
    swap ( edge, edge3 );
  }
  nodes[deletededge.fromnode].edges.pop_back ();
  edgessize--;
  closecount += deletededge.close;
}
 
void GraphState::reinsertEdge () {
  GSDeletedEdge &deletededge = deletededges.back ();
  vector<GSEdge> &edges1 = nodes[deletededge.tonode].edges;
  vector_push_back ( GSEdge, edges1, edge );
  edge.edgelabel = deletededge.edgelabel;
  edge.cyclemark = deletededge.cyclemark;
  edge.close = deletededge.close;
  edge.tonode = deletededge.fromnode;
  edge.postonode = deletededge.posfromnode;
  if ( deletededge.postonode != (int) edges1.size () - 1 ) {
     // reinsert at original location by swapping with the element at that position again
    GSEdge &edge3 = edges1[deletededge.postonode];
    nodes[edge3.tonode].edges[edge3.postonode].postonode = edges1.size () - 1;
    swap ( edge, edge3 );
  }
  vector<GSEdge> &edges2 = nodes[deletededge.fromnode].edges;
  vector_push_back ( GSEdge, edges2, edge2 );
  edge2.edgelabel = deletededge.edgelabel;
  edge2.tonode = deletededge.tonode;
  edge2.cyclemark = deletededge.cyclemark;
  edge2.close = deletededge.close;
  edge2.postonode = deletededge.postonode;
  if ( deletededge.posfromnode != (int)edges2.size () - 1 ) {
     // reinsert at original location by swapping with the element at that position again
    GSEdge &edge3 = edges2[deletededge.posfromnode];
    nodes[edge3.tonode].edges[edge3.postonode].postonode = edges2.size () - 1;
    swap ( edge2, edge3 );
  }
  deletededges.pop_back ();
  edgessize++;
  closecount -= deletededge.close;
}
 
// THE FUNCTIONS BELOW PERFORM GRAPH NORMALISATION.
// Given a graph, they determine whether the current code is canonical.
// The algorithm is a horror to implement.
 
int GraphState::normalizeSelf () {
  vector<pair<int, int> > removededges;
  selfdone = true;
  
  // temporarily change the situation to the original graph
  
  while ( deletededges.size () != 1 ) {
    removededges.push_back ( make_pair ( deletededges.back ().fromnode, deletededges.back ().posfromnode ) );
    reinsertEdge ();
  }
  
  for ( int i = closetuples->size () - 1; i >= 0; i-- )
    deleteEdge ( nodes[(*closetuples)[i].from-1].edges.back () );
  int b = normalizetree ();
  
  // then change the situation back
  
  for ( int i = closetuples->size () - 1; i >= 0; i-- )
    reinsertEdge ();
  
  while ( !removededges.empty () ) {
    deleteEdge ( nodes[removededges.back ().first].edges[removededges.back().second] );
    removededges.pop_back ();
  }
  
    
  return b;
}
 
// == 0 no lower found
// == 1 lower found, last tuple was however the only lower
// == 2 lower found, larger prefix was lower
int GraphState::is_normal () {
  selfdone = false;
  
  int b = enumerateSpanning ();
  if ( b == 0 && !selfdone )
    b = normalizeSelf ();
  return b;
}
 
void GraphState::determineCycles ( unsigned int usedbit ) {
  int nodestack[edgessize+1];
  int edgestack[edgessize+1];
  int stacktop = 1;
  nodestack[0] = edgestack[0] = -1; // to allow look at of array
  nodestack[1] = edgestack[1] = 0;
  bool instack[nodes.size ()];
  unsigned int deletebit = ~usedbit;
  
  for ( int i = 0; i < (int) nodes.size (); i++ ) {
    instack[i] = false;
    vector<GSEdge> &edges = nodes[i].edges;
    for ( int j = 0; j < (int) edges.size (); j++ ) {
      edges[j].cyclemark &= deletebit;
    }
  }
  instack[0] = true;
  
  while ( stacktop > 0 ) {
    if ( (int) nodes[nodestack[stacktop]].edges.size () <= edgestack[stacktop] ) {
      instack[nodestack[stacktop]] = false;
      stacktop--;
      edgestack[stacktop]++;
      continue;
    }
    GSEdge &edge = nodes[nodestack[stacktop]].edges[edgestack[stacktop]];
    if ( edge.cyclemark & usedbit ) {
      edgestack[stacktop]++;
      continue;
    }
    if ( instack[edge.tonode] ) {
      if ( edge.tonode != nodestack[stacktop-1] ) {
        // otherwise walking back and forth
        int k = stacktop;
        bool had = true;
        while ( had ) {
          had = ( nodestack[k] != edge.tonode );
          GSEdge &edge2 = nodes[nodestack[k]].edges[edgestack[k]];
          GSEdge &edge3 = nodes[edge2.tonode].edges[edge2.postonode];
          edge2.cyclemark |= usedbit;
          edge3.cyclemark |= usedbit;
          k--;
        }
      }
      edgestack[stacktop]++;
    }
    else {
      stacktop++;
      nodestack[stacktop] = edge.tonode;
      instack[edge.tonode] = true;
      edgestack[stacktop] = 0;
    }
  }
}
 
// returns true if lower found, otherwise false
int GraphState::enumerateSpanning () {
  if ( edgessize == (int) nodes.size () - 1 ) {
    // we have a tree
    if ( closecount == (int) closetuples->size () )
      // in this case we have already considered this tree as a separate tree
      return 0;
    return normalizetree ();
  }
  else {
    unsigned int bit = 1 << ( deletededges.size () - 1 );
    determineCycles ( bit );
    for ( int i = 0; i < (int) nodes.size (); i++ ) {
      vector<GSEdge>& edges = nodes[i].edges;
      for ( int j = 0; j < (int) edges.size (); j++ ) {
        if ( ( edges[j].cyclemark & bit ) &&
             edges[j].tonode > i &&
             ( i < deletededges.back ().fromnode ||
             ( i == deletededges.back ().fromnode &&
               edges[j].tonode < deletededges.back ().tonode ) ) ) {
          deleteEdge ( edges[j] );
          int b = enumerateSpanning ();
          reinsertEdge ();
if ( b )
return b;
        }
      }
    }
  }
  return 0;
}
 
 
 
 
 
 
// PRINT GSP TO STDOUT
 
void GraphState::print ( FILE *f ) {
  static int counter = 0;
  counter++;
  putc ( 't', f );
  putc ( ' ', f );
  puti ( f, (int) counter );
  putc ( '\n', f );
  for ( int i = 0; i < (int) nodes.size (); i++ ) {
    putc ( 'v', f );
    putc ( ' ', f );
    puti ( f, (int) i );
    putc ( ' ', f );
    puti ( f, (int) fm::database->nodelabels[nodes[i].label].inputlabel );
    putc ( '\n', f );
  }
  for ( int i = 0; i < (int) nodes.size (); i++ ) {
    for ( int j = 0; j < (int) nodes[i].edges.size (); j++ ) {
      GraphState::GSEdge &edge = nodes[i].edges[j];
      if ( i < edge.tonode ) {
        putc ( 'e', f );
    putc ( ' ', f );
    puti ( f, (int) i );
    putc ( ' ', f );
    puti ( f, (int) edge.tonode );
    putc ( ' ', f );
    puti ( f, (int) fm::database->edgelabels[
                 fm::database->edgelabelsindexes[edge.edgelabel]
           ].inputedgelabel );
        putc ( '\n', f );
      }
    }
  }
}
 
 
// PRINT SMARTS TO STDOUT
 
void GraphState::DfsOut(int cur_n, int from_n) {
 
    string oss[]= {"B", "C", "N", "O", "P", "S", "F", "Cl", "Br", "I"};
    set<string> organic_subset(oss, oss+10);
 
    InputNodeLabel inl = fm::database->nodelabels[nodes[cur_n].label].inputlabel;
    if (inl!=254) {
        string str = etab.GetSymbol(inl);
        if (organic_subset.find(str) == organic_subset.end()) {
            str.insert(0,"[");
            str.insert(str.size(),"]");
            cerr << str << endl;
        }
        
        for(int i = 0; str[i] != '\0'; i++) putchar(str[i]);
    } else putchar('c'); // output nodelabel
    int fanout = (int) nodes[cur_n].edges.size ();
    InputEdgeLabel iel;
    for ( int j = 0; j < fanout; j++ ) {
        GraphState::GSEdge &edge = nodes[cur_n].edges[j];
        if ( edge.tonode != from_n) {
            if (fanout>2) putchar ('(');
            iel = fm::database->edgelabels[fm::database->edgelabelsindexes[edge.edgelabel]].inputedgelabel;
            switch (iel) {
            case 1:
                putchar('-');
                break;
            case 2:
                putchar('=');
                break;
            case 3:
                putchar('#');
                break;
            case 4:
                putchar(':');
                break;
            default:
                cerr << "ERROR! Bond order of " << iel << " is not supported!" << endl;
                exit(1);
            }
            DfsOut(edge.tonode, cur_n);
            if (fanout>2) putchar(')');
        }
    }
}
 
 
 
// ENTRY: BRANCH TO GSP (STDOUT) or PRINT YAML/LAZAR TO STDOUT
 
void GraphState::print ( unsigned int frequency ) {
    if (!fm::chisq->active || fm::chisq->p >= fm::chisq->sig) {
        if (fm::gsp_out) {
            print(stdout);
        }
        else {
          if (fm::do_yaml) {
            putchar('-');
            putchar(' ');
            putchar('[');
            putchar(' ');
            putchar('"');
          }
          // output smarts
          int i;
          for ( i = nodes.size()-1; i >= 0; i-- ) { // edges
              if (nodes[i].edges.size()==1) break;
          }
          DfsOut(i, i);
          if (fm::do_yaml) {
            putchar('"');
            putchar(',');
            putchar(' ');
          }
          // output chisq
          if (fm::chisq->active) {
            if (fm::do_yaml) {
                if (!fm::pvalues) printf("%.4f, ", fm::chisq->p);
                else printf("%.4f, ", gsl_cdf_chisq_P(fm::chisq->p,1));
            }
            else putchar('\t');
          }
          // output freq
          if (fm::chisq->active) {
              if (frequency != (fm::chisq->fa+fm::chisq->fi)) { cerr << "Error: wrong counts! " << frequency << "!=" << fm::chisq->fa + fm::chisq->fi << "(" << fm::chisq->fa << "+" << fm::chisq->fi << ")" << endl; }
          }
          else {
              if (fm::do_yaml) { printf("%i", frequency); }
              else { printf("%i\t", frequency); };
          }
          // output occurrences
          if (fm::chisq->active) {
              putchar ('[');
              set<Tid>::iterator iter;
              if (fm::do_yaml) {
                  for (iter = fm::chisq->fa_set.begin(); iter != fm::chisq->fa_set.end(); iter++) {
                      if (iter != fm::chisq->fa_set.begin()) putchar (',');
                      putchar (' ');
                      printf("%i", (*iter));
                  }
                  putchar (']');
                  putchar (',');
                  putchar (' ');
                  putchar ('[');
              }
              if (fm::do_yaml) {
                  for (iter = fm::chisq->fi_set.begin(); iter != fm::chisq->fi_set.end(); iter++) {
                      if (iter != fm::chisq->fi_set.begin()) putchar (',');
                      printf(" %i", (*iter));
                  }
              }
              if (!fm::do_yaml) {
                  set<Tid> ids;
                  ids.insert(fm::chisq->fa_set.begin(), fm::chisq->fa_set.end());
                  ids.insert(fm::chisq->fi_set.begin(), fm::chisq->fi_set.end());
                  for (iter = ids.begin(); iter != ids.end(); iter++) {
                      putchar(' ');
                      printf("%i", (*iter));
                  }
              }
              putchar(' ');
              putchar(']');
          }
          if (fm::do_yaml) {
            putchar(' ');
            putchar(']');
          }
          if(fm::console_out) putchar('\n');
       }
    }
}
 
 
 
 
// PRINT GSP TO OSS
 
void GraphState::to_s ( string& oss ) {
  static int counter = 0;
  counter++;
  oss.append( "t");
  oss.append( " ");
  char x[20];
  sprintf(x, "%i", counter);
  (oss.append( x)).append("\n");
  for ( int i = 0; i < (int) nodes.size (); i++ ) {
    oss.append( "v");
    oss.append( " ");
    sprintf(x, "%i", i);
    oss.append( x);
    oss.append( " ");
    sprintf(x, "%i", fm::database->nodelabels[nodes[i].label].inputlabel);
    oss.append( x);
    oss.append( "\n");
  }
  for ( int i = 0; i < (int) nodes.size (); i++ ) {
    for ( int j = 0; j < (int) nodes[i].edges.size (); j++ ) {
      GraphState::GSEdge &edge = nodes[i].edges[j];
      if ( i < edge.tonode ) {
    oss.append( "e");
    oss.append( " ");
    sprintf(x, "%i", i);
    oss.append( x);
    oss.append( " ");
    sprintf(x, "%i", edge.tonode);
    oss.append(x);
    oss.append( " ");
    sprintf(x, "%i", (int) fm::database->edgelabels[fm::database->edgelabelsindexes[edge.edgelabel]].inputedgelabel);
    oss.append( x);
        oss.append( "\n");
      }
    }
  }
}
 
 
// PRINT SMARTS TO OSS
 
void GraphState::DfsOut(int cur_n, string& oss, int from_n) {
    InputNodeLabel inl = fm::database->nodelabels[nodes[cur_n].label].inputlabel;
    (inl!=254) ? oss.append( etab.GetSymbol(inl)) : oss.append("c"); // output nodelabel
    int fanout = (int) nodes[cur_n].edges.size ();
    InputEdgeLabel iel;
    for ( int j = 0; j < fanout; j++ ) {
        GraphState::GSEdge &edge = nodes[cur_n].edges[j];
        if ( edge.tonode != from_n) {
            if (fanout>2) oss.append ("(");
            iel = fm::database->edgelabels[fm::database->edgelabelsindexes[edge.edgelabel]].inputedgelabel;
            switch (iel) {
            case 1:
                oss.append("-");
                break;
            case 2:
                oss.append("=");
                break;
            case 3:
                oss.append("#");
                break;
            case 4:
                oss.append(":");
                break;
            default:
                cerr << "Error! Bond order of " << iel << " is not supported. Aborting." << endl;
                exit(1);
            }
            DfsOut(edge.tonode, oss, cur_n);
            if (fanout>2) oss.append(")");
        }
    }
}
 
 
// ENTRY: BRANCH TO GSP (OSS) or PRINT YAML/LAZAR TO OSS
 
string GraphState::to_s ( unsigned int frequency ) {
 
    if (!fm::chisq->active || fm::chisq->p >= fm::chisq->sig) {
 
        string oss;
 
        if (fm::gsp_out) {
            to_s(oss);
            return oss;
        }
 
        else {
          if (fm::do_yaml) oss.append ("- [ ");
 
          // output smarts
          if (fm::do_yaml) oss.append ("\"");
          int i;
          for ( i = nodes.size()-1; i >= 0; i-- ) { // edges
              if (nodes[i].edges.size()==1) break;
          }
          DfsOut(i, oss, i);
          if (fm::do_yaml) oss.append ("\", ");
          else oss.append("\t");
 
          // output chisq
          if (fm::chisq->active) {
            if (fm::do_yaml) {
                if (!fm::pvalues) { char x[20]; sprintf(x,"%.4f", fm::chisq->p); (oss.append(x)).append(", "); }
                else { char x[20]; sprintf(x,"%.4f", gsl_cdf_chisq_P(fm::chisq->p, 1)); (oss.append(x)).append(", "); }
            }
 
          }
 
          // output freq
          if (fm::chisq->active) {
              if (frequency != (fm::chisq->fa+fm::chisq->fi)) { cerr << "Notice: Wrong counts for frequency " << frequency << " [!=" << fm::chisq->fa << "(fa)+" << fm::chisq->fi << "(fi)]." << endl; }
          }
          else {
              char x[20]; sprintf(x,"%i", frequency);
              oss.append(x);
          }
 
          // output occurrences
          if (fm::chisq->active) {
              oss.append ("[");
 
              set<Tid>::iterator iter;
              char x[20];
 
              if (fm::do_yaml) {
                  set<Tid>::iterator begin = fm::chisq->fa_set.begin();
                  set<Tid>::iterator end = fm::chisq->fa_set.end();
                  set<Tid>::iterator last = end; if (fm::chisq->fa_set.size()) last = --(fm::chisq->fa_set.end());
 
                  for (iter = begin; iter != end; iter++) {
                      if (iter != begin) oss.append (",");
                      oss.append (" ");
                      sprintf(x,"%i", (*iter)); oss.append (x);
                      if ((last != end) && (iter == last)) oss.append (" ");
                  }
                  oss.append ("], [");
 
                  begin = fm::chisq->fi_set.begin();
                  end = fm::chisq->fi_set.end();
                  last = end; if (fm::chisq->fi_set.size()) last = --(fm::chisq->fi_set.end());
 
                  for (iter = begin; iter != end; iter++) {
                      if (iter != begin) oss.append (",");
                      oss.append (" ");
                      sprintf(x,"%i", (*iter)); oss.append (x);
                      if ((last != end) && (iter == last)) oss.append (" ");
                  }
              }
 
              if (!fm::do_yaml) {
                  set<Tid> ids;
                  ids.insert(fm::chisq->fa_set.begin(), fm::chisq->fa_set.end());
                  ids.insert(fm::chisq->fi_set.begin(), fm::chisq->fi_set.end());
                  for (iter = ids.begin(); iter != ids.end(); iter++) {
                      sprintf(x,"%i", (*iter));
                      (oss.append (" ")).append(x);
                  }
              }
              if (!fm::do_yaml) oss.append (" ]");
              else oss.append ("]");
          }
 
          if (fm::do_yaml) oss.append (" ]");
 
          fm::console_out ? oss.append ("\n") : oss.append ("");
 
 
          return oss;
       }
 
    }
    else return "";
}
  
string GraphState::sep() {
    if (fm::gsp_out) return "#";
    else if (fm::do_yaml) return "---";
    else return " ";
}
 
void GraphState::undoState () {
  int s = nodes.size ();
  for ( int i = 1; i < s; i++ )
    deleteNode ();
  deleteStartNode ();
}
 
// In this function the real work is done. Currently it is one function (645 lines),
// as many arrays are reused. This choice was made because this setup is more
// efficient (but less readable, unfortunately).
int GraphState::normalizetree () {
  unsigned int nrnodes = nodes.size ();
  int distmarkers[nrnodes];
  int adjacentdones[nrnodes];
  int queue[nrnodes];
  int queuebegin = 0;
  int queueend = 0;
  for ( int i = 0; i < (int) nrnodes; i++ )
    distmarkers[i] = adjacentdones[i] = 0;
  int onecnt = 0;
  
  // discover the leafs
  for ( int i = 0; i < (int) nodes.size (); i++ )
    if ( nodes[i].edges.size () == 1 ) {
      onecnt++;
      distmarkers[i] = 1;
      NodeId adjacent = nodes[i].edges[0].tonode;
      adjacentdones[adjacent]++;
      if ( nodes[adjacent].edges.size () - adjacentdones[adjacent] == 1 ) {
        distmarkers[adjacent] = 2;
        queue[queueend] = adjacent;
queueend++;
      }
    }
 
  NodeId tonode;
  bool done = true;
  
  if ( queueend + onecnt == (int) nodes.size () ) {// otherwise all nodes have been done already
  // walk from the leafs towards the center
    if ( queueend == 2 ) // bicentered tree
      queuebegin++; // queuebegin should be on the second of two nodes
  }
  else
    while ( done ) {
      GSNode &node = nodes[queue[queuebegin]];
      done = false;
      for ( int i = 0; i < (int) node.edges.size (); i++ ) {
        tonode = node.edges[i].tonode;
        adjacentdones[tonode]++;
        int diff = nodes[tonode].edges.size () - adjacentdones[tonode];
        done |= diff;
        if ( diff == 1 ) {
          distmarkers[tonode] = distmarkers[queue[queuebegin]] + 1;
          queue[queueend] = tonode;
queueend++;
        }
      }
      queuebegin++;
    }
 
  
  // discover the two canonical labeled paths
  bool bicenter = queuebegin && ( distmarkers[queue[queuebegin]] == distmarkers[queue[queuebegin-1]] );
  Depth maxdepth = distmarkers[queue[queuebegin]];
  int pathlength = maxdepth * 2;
  if ( !bicenter ) {
    maxdepth--;
    pathlength--;
    if ( pathlength < backbonelength ) {
      return 2;
    }
    if ( pathlength > backbonelength )
      return 0;
    NodeLabel rl = nodes[queue[queuebegin]].label;
    if ( rl < centerlabel ) {
      return 2;
    }
    if ( rl > centerlabel )
      return 0;
  }
  else {
    if ( pathlength < backbonelength ) {
      return 2;
    }
    if ( pathlength > backbonelength ) {
      return 0;
    }
    GSNode &node = nodes[queue[queuebegin]];
    int i;
    for ( i = 0; node.edges[i].tonode != queue[queuebegin-1]; i++ );
    EdgeLabel rl = node.edges[i].edgelabel;
    if ( rl < bicenterlabel ) {
      return 2;
    }
    if ( rl > bicenterlabel )
      return 0;
  }
  int nodes[nrnodes];
  int *depthnodes[maxdepth + 1]; // we sometimes overshoot this fill in, allthough we do not use the type
                                 // This array is used to find the nodes for each type of the spanning
// tree that we are currently considering
  int depthnodessizes[maxdepth + 1];
  int minlabelednodes[2][nrnodes];
  int minlabelednodessize[2] = { 0, 0 };
  int children[nrnodes];
  int nodewalk;
  EdgeLabel pathedgelabels[2][nrnodes+1];
  int pathedgelabelssize = 1;
  for ( int i = 0; i < (int) maxdepth + 1; i++ )
    depthnodessizes[i] = 0;
  
  int* nodes_firstchild[nrnodes];
  int nodes_nochildren[nrnodes];
  int nodes_walkchild[nrnodes];
  int nodes_parent[nrnodes];
  EdgeLabel nodes_edgelabel[nrnodes];
  int nodes_code[nrnodes];
  int nodes_treenr[nrnodes];
  int nodes_marker[nrnodes];
  int lowesttreenr=0;
  int lowestlabel, secondlowestlabel;
  
  for ( int i = 0; i < (int) nrnodes; i++ )
    nodes_marker[i] = 0;
    
  if ( bicenter ) {
    int nodeid1 = queue[queuebegin];
    int nodeid2 = queue[queuebegin-1];
    depthnodes[0] = nodes;
    depthnodes[0][0] = nodeid1;
    depthnodes[0][1] = nodeid2;
    nodes_nochildren[nodeid1] = nodes_nochildren[nodeid2] = 0;
    nodes_edgelabel[nodeid1] = nodes_edgelabel[nodeid2] = 0;
    nodes_parent[nodeid1] = nodes_parent[nodeid2] = NONODE;
    nodes_marker[nodeid1] = nodes_marker[nodeid2] = 1;
    nodes_treenr[nodeid1] = 0;
    nodes_treenr[nodeid2] = 1;
    depthnodessizes[0] = 2;
    nodewalk = 2;
    lowesttreenr = -1;
    pathedgelabels[0][0] = pathedgelabels[1][0] = 0; // doesn't matter
  }
  else {
    // in case of a single root, we add all children of that root
    // at depth 0 of the resulting forest, thus obtaining a similar
    // situation to the bicentered tree case where both centers
    // are taken as the roots of two trees in a forest.
    // However, we have to take special care here to fill in all required
    // data correctly.
    int nodeid = queue[queuebegin];
    nodes_parent[nodeid] = NONODE;
    lowestlabel = MAXEDGELABEL;
    secondlowestlabel = MAXEDGELABEL;
    GSNode &node = GraphState::nodes[nodeid];
    int edgessize = node.edges.size ();
    depthnodes[0] = nodes;
    depthnodessizes[0] = edgessize;
    nodewalk = edgessize;
    for ( int j = 0; j < edgessize; j++ ) {
      NodeId tonode = node.edges[j].tonode;
      int lab = node.edges[j].edgelabel;
      depthnodes[0][j] = tonode;
      nodes_edgelabel[tonode] = lab;
      nodes_parent[tonode] = NONODE; // stop artificially nodeid;
      nodes_nochildren[tonode] = 0;
      nodes_treenr[tonode] = j; // this is (almost) all that we do it for
      if ( distmarkers[tonode] == distmarkers[nodeid] - 1 )
   if ( lab < lowestlabel ) {
secondlowestlabel = lowestlabel;
lowestlabel = lab;
}
else
if ( lab == lowestlabel )
secondlowestlabel = -1; // we encounter the lowest label for the second time,
// disable second lowest
else
if ( lab < secondlowestlabel )
secondlowestlabel = lab;
    }
    for ( int j = 0; j < edgessize; j++ ) {
      NodeId tonode = node.edges[j].tonode;
      int lab = node.edges[j].edgelabel;
      if ( distmarkers[tonode] == distmarkers[nodeid] - 1 )
        if ( lab == lowestlabel ) {
lowesttreenr = j;
nodes_marker[tonode] = 1;
}
else
if ( lab == secondlowestlabel )
nodes_marker[tonode] = 2;
    }
    pathedgelabels[0][0] = lowestlabel;
    if ( secondlowestlabel == -1 ) {
      lowesttreenr = -1; // no one tree is the lowest now
      pathedgelabels[1][0] = lowestlabel; // doesn't matter
    }
    else
      pathedgelabels[1][0] = secondlowestlabel;
  }
  
  
  int lowestlabeltreenr=0;
  
  // walk through the tree from the root, determine the lowest path,
  // and fill in all datastructures that we require for the next pass
  for ( Depth depth = 0; depth < maxdepth; depth++ ) {
    lowestlabel = MAXEDGELABEL;
    secondlowestlabel = MAXEDGELABEL;
    depthnodes[depth+1] = nodes + nodewalk;
    bool difftreenrlowlab = 0;
    for ( int i = 0; i < depthnodessizes[depth]; i++ ) {
      NodeId nodeid = depthnodes[depth][i];
      GSNode &node = GraphState::nodes[nodeid];
      int edgessize = node.edges.size ();
      nodes_walkchild[nodeid] = 0;
      nodes_nochildren[nodeid] = 0;
      nodes_firstchild[nodeid] = children + nodewalk;
      
      for ( int j = 0; j < edgessize; j++ ) {
        NodeId tonode = node.edges[j].tonode;
        if ( distmarkers[tonode] < distmarkers[nodeid] ) {
EdgeLabel lab = node.edges[j].edgelabel;
          if ( distmarkers[tonode] == distmarkers[nodeid] - 1 )
if ( nodes_marker[nodeid] == 1 ) {
   if ( lab < lowestlabel ) {
                minlabelednodessize[0] = 1;
minlabelednodes[0][0] = tonode;
   lowestlabel = lab;
lowestlabeltreenr = nodes_treenr[nodeid];
difftreenrlowlab = 1;
}
else {
if ( lab == lowestlabel ) {
minlabelednodes[0][minlabelednodessize[0]] = tonode;
minlabelednodessize[0]++;
difftreenrlowlab &= ( nodes_treenr[nodeid] == lowestlabeltreenr );
}
              }
}
            else {
   if ( nodes_marker[nodeid] == 2 )
   if ( lab < secondlowestlabel ) {
                  minlabelednodessize[1] = 1;
minlabelednodes[1][0] = tonode;
   secondlowestlabel = lab;
}
else
if ( lab == secondlowestlabel ) {
minlabelednodes[1][minlabelednodessize[1]] = tonode;
minlabelednodessize[1]++;
}
            }
depthnodes[depth + 1][depthnodessizes[depth+1]] = tonode;
depthnodessizes[depth + 1]++;
 
nodes_treenr[tonode] = nodes_treenr[nodeid];
nodes_parent[tonode] = nodeid;
nodes_edgelabel[tonode] = lab;
 
nodes_nochildren[nodeid]++;
nodewalk++;
}
      }
    }
    pathedgelabels[0][pathedgelabelssize] = lowestlabel;
 
    for ( int i = 0; i < minlabelednodessize[0]; i++ )
      nodes_marker[minlabelednodes[0][i]] = 1;
    if ( lowesttreenr == -1 )
      if ( difftreenrlowlab ) {
        // we have found two trees which have differently labeled paths now, we have
// perform much additional work to find the second best tree and mark those
lowesttreenr = lowestlabeltreenr;
secondlowestlabel = MAXEDGELABEL;
  for ( int r = 0; r < depthnodessizes[depth+1]; r++ ) {
int nodeid = depthnodes[depth+1][r];
int parentid = nodes_parent[nodeid];
if ( nodes_marker[parentid] == 1 &&
nodes_marker[nodeid] != 1 &&
distmarkers[nodeid] == distmarkers[parentid] - 1 &&
               nodes_treenr[nodeid] != lowesttreenr &&
nodes_edgelabel[nodeid] < secondlowestlabel )
secondlowestlabel = nodes_edgelabel[nodeid];
}
for ( int r = 0; r < depthnodessizes[depth+1]; r++ ) {
int nodeid = depthnodes[depth+1][r];
int parentid = nodes_parent[nodeid];
if ( nodes_marker[parentid] == 1 &&
nodes_marker[nodeid] != 1 &&
               nodes_treenr[nodeid] != lowesttreenr &&
distmarkers[nodeid] == distmarkers[parentid] - 1 &&
nodes_edgelabel[nodeid] == secondlowestlabel )
nodes_marker[nodeid] = 2;
}
pathedgelabels[1][pathedgelabelssize] = secondlowestlabel;
      }
      else {
        // all trees in the running remain the same
pathedgelabels[1][pathedgelabelssize] = lowestlabel;
      }
    else {
      pathedgelabels[1][pathedgelabelssize] = secondlowestlabel;
      for ( int i = 0; i < minlabelednodessize[1]; i++ )
        nodes_marker[minlabelednodes[1][i]] = 2;
    }
    pathedgelabelssize++;
  }
  
  // here we have both paths
  if ( bicenter ) {
    for ( int i = 1; i < (int) maxdepth; i++ ) {
      if ( pathedgelabels[0][i] < (*treetuples)[i-1].label ) {
        return 2;
      }
      if ( pathedgelabels[0][i] > (*treetuples)[i-1].label )
        return 0;
    }
    for ( int i = 1; i < (int) maxdepth; i++ ) {
      if ( pathedgelabels[1][i] < (*treetuples)[startsecondpath + i-1].label ) {
        return 2;
      }
      if ( pathedgelabels[1][i] > (*treetuples)[startsecondpath + i-1].label )
        return 0;
    }
  }
  else {
    for ( int i = 0; i < (int) maxdepth; i++ ) {
      if ( pathedgelabels[0][i] < (*treetuples)[i].label ) {
        return 2;
      }
      if ( pathedgelabels[0][i] > (*treetuples)[i].label )
        return 0;
    }
    for ( int i = 0; i < (int) maxdepth; i++ ) {
      if ( pathedgelabels[1][i] < (*treetuples)[startsecondpath + i].label ) {
        return 2;
      }
      if ( pathedgelabels[1][i] > (*treetuples)[startsecondpath + i].label )
        return 0;
    }
  }
  // if path contains only the same label, is bicentered and there are two node types on the path (A-B-A-B-A-B)
  // we artificially fill in the nodes_edgelabel of the two root nodes, such that the lowest node
  // has the lowest label.
  // when we come here, we know that the path here equals the path in the status, so we can use the 'nasty case'
  // bit of the status.
  
  if ( nasty ) {
    int nodeid1 = queue[queuebegin];
    int nodeid2 = queue[queuebegin-1];
    nodes_edgelabel[nodeid1] = GraphState::nodes[nodeid1].label; // in this way we force one end to be the first
    nodes_edgelabel[nodeid2] = GraphState::nodes[nodeid2].label;
  }
  
  // DO IT HERE
  
  // here we have in minlabelednodes the leafs at maximal depth for the lowest path
  // next, we're going bottom-up through the tree
  bool equal[nrnodes];
  
  for ( Depth depth = maxdepth - 1; ; depth-- ) {
    // sort the nodes at that type using insertion sort
    int size = depthnodessizes[depth];
    int *dnodes = depthnodes[depth];
    equal[0] = false;
    for ( int i = 1; i < size; i++ ) {
      int k = i, cmp;
      int node1 = dnodes[k];
      int ismin1 = ( nodes_treenr[node1] != lowesttreenr ); // 1 == not in lowest tree
      int depthlabel = pathedgelabels[ismin1][depth];
      k--;
      do {
        int node2 = dnodes[k];
int ismin2 = ( nodes_treenr[node2] != lowesttreenr ); // returns 0 or 1
cmp = ismin2 - ismin1;
if ( cmp == 0 ) {
          if ( nodes_edgelabel[node1] == depthlabel )
    if ( nodes_edgelabel[node2] != depthlabel )
cmp = +1;
else
cmp = 0;
else
if ( nodes_edgelabel[node2] == depthlabel )
cmp = -1;
else
cmp = nodes_edgelabel[node2] - nodes_edgelabel[node1];
if ( cmp == 0 ) {
// order of children important
int mins = min ( nodes_nochildren[node1], nodes_nochildren[node2] );
   int l = 0;
while ( cmp == 0 && l < mins ) {
cmp = nodes_code[nodes_firstchild[node2][l]] - nodes_code[nodes_firstchild[node1][l]];
l++;
}
if ( cmp == 0 )
cmp = nodes_nochildren[node1] - nodes_nochildren[node2];
}
}
 
if ( cmp > 0 ) {
dnodes[k+1] = dnodes[k];
equal[k+1] = equal[k];
   k--;
}
      }
      while ( k >= 0 && cmp > 0 );
      dnodes[k+1] = node1;
      equal[k+1] = ( cmp == 0 ) && k >= 0;
    }
    
    // filled in the sort info
    if ( depth == 0 ) {
      int codec = -1;
      for ( int i = 0; i < size; i++ ) {
        if ( !equal[i] )
          codec++;
        nodes_code[depthnodes[0][i]] = codec;
      }
      break;
    }
    
    int codec = -1;
    for ( int i = 0; i < size; i++ ) {
      if ( !equal[i] )
        codec++;
      int nodeid = depthnodes[depth][i];
      int parentid = nodes_parent[nodeid];
      nodes_code[nodeid] = codec;
      nodes_firstchild[parentid][nodes_walkchild[parentid]] = nodeid;
      nodes_walkchild[parentid]++;
    }
  }
  
  // print string, put in classes at the same time?
  int stack[nrnodes];
  int depths[nrnodes];
  int preordernumber[nrnodes];
  
  int stacksize = 0;
  for ( int r = depthnodessizes[0] - 1; r >= 0; r-- ) {
    NodeId node = depthnodes[0][r];
    stack[stacksize] = node;
    depths[stacksize] = 0;
    stacksize++;
  }
  int mod;
  int preorder = 0;
  if ( bicenter ) {
    mod = -1;
  }
  else {
    mod = 0;
    preordernumber[queue[queuebegin]] = 0; // that's the first in the pre-order numbering
    preorder++;
  }
  int codewalk = 0;
  int bicnt = 0;
  while ( stacksize != 0 ) {
    stacksize--;
    int nodeid = stack[stacksize];
    int depth = depths[stacksize];
    preordernumber[nodeid] = preorder; // fill in pre-order numbers that may be needed in the next type
    if ( !bicenter || depths[stacksize] ) {
      if ( bicnt == 1 && preorder > startsecondpath )
        return 2;
      int cmp = depths[stacksize] + mod - (*treetuples)[codewalk].depth;
      if ( cmp > 0 ||
           ( cmp == 0 &&
             nodes_edgelabel[nodeid] < (*treetuples)[codewalk].label
           )
         ) {
        return 2;
      }
      if ( cmp < 0 ||
           ( cmp == 0 &&
             nodes_edgelabel[nodeid] > (*treetuples)[codewalk].label
           )
         )
        return 0;
      codewalk++;
    }
    else {
      bicnt++;
      if ( preorder && preorder<= startsecondpath )
        return 0;
    }
    for ( int j = nodes_nochildren[nodeid] - 1; j >= 0; j-- ) {
      stack[stacksize] = nodes_firstchild[nodeid][j];
      depths[stacksize] = depth + 1;
      stacksize++;
    }
    preorder++;
  }
  
    
  if ( closecount == (int) closetuples->size () ) {
    nodesinpreorder.resize ( nrnodes );
    for ( int i = 0; i < (int) nrnodes; i++ ) {
      nodesinpreorder[preordernumber[i]] = i;
    }
  }
  if ( !selfdone ) {
    int b;
    if ( (b = (int) normalizeSelf ()) ) // another was found to be lower than the current,
                                // otherwise we have filled in the class node numbers now
      return b;
  }
  
  bool nodeclose[nrnodes];
  for ( int i = 0; i < (int) nrnodes; i++ )
    nodeclose[i] = false;
  
  for ( int i = 1; i < (int) deletededges.size (); i++ ) {
    NodeId ni = deletededges[i].fromnode;
    while ( ni != NONODE ) {
      nodeclose[ni] = true;
      ni = nodes_parent[ni];
    }
    ni = deletededges[i].tonode;
    while ( ni != NONODE ) {
      nodeclose[ni] = true;
      ni = nodes_parent[ni];
    }
  }
  
  int *siblingstack[nrnodes];
  int siblingstacksize[nrnodes];
  int btcode[2 * nrnodes];
  int btparent[2 * nrnodes];
  int btcodesize = 0;
  int nodesinbt[nrnodes];
  siblingstack[0] = depthnodes[0];
  siblingstacksize[0] = depthnodessizes[0];
  stacksize = 1;
  
  // fill in the "backtrack string".
  // this string contains all nodes for which different permutations have to be checked
  // in the next type.
    
  
  while ( stacksize ) {
    stacksize--;
    int nsize = siblingstacksize[stacksize];
    int *nodes = siblingstack[stacksize];
    for ( int i = 0; i < nsize; ) {
      if ( nodeclose[nodes[i]] ) {
        int j = i - 1;
        while ( j >= 0 && nodes_code[nodes[j]] == nodes_code[nodes[i]] )
          j--;
        j++;
        while ( j < nsize && nodes_code[nodes[j]] == nodes_code[nodes[i]] ) {
          NodeId node = nodes[j];
          NodeId parent = nodes_parent[node];
          if ( parent != NONODE ) {
            btcode[btcodesize] = preordernumber[node] - preordernumber[parent];
            btparent[btcodesize] = nodesinbt[parent];
          }
          else {
            btcode[btcodesize] = preordernumber[node];
            btparent[btcodesize] = NONODE;
          }
          nodesinbt[node] = btcodesize;
          if ( nodeclose[node] && nodes_nochildren[node]) {
            siblingstack[stacksize] = nodes_firstchild[node];
            siblingstacksize[stacksize] = nodes_nochildren[node];
            stacksize++;
          }
          btcodesize++;
          j++;
        }
        btcode[btcodesize] = -1;
        btcodesize++;
        i = j;
      }
      else
        i++;
    }
  }
  
  if ( !bicenter )
    nodesinbt[queue[queuebegin]] = NONODE;
    
  // walk through all permutations, for each determine the coding of the closings
  int permstack[btcodesize];
  CloseTuple closetuples[deletededges.size ()];
  stacksize = 1;
  permstack[0] = 0;
  while ( true ) {
    int stackpos = stacksize - 1;
    if ( stacksize < btcodesize && btcode[permstack[stackpos]] != -1 ) {
      swap ( btcode[stackpos], btcode[permstack[stackpos]] );
      if ( btcode[stacksize] == -1 && stacksize + 1 < btcodesize ) {
        permstack[stacksize + 1] = stacksize + 1;
        stacksize += 2;
      }
      else {
        permstack[stacksize] = stacksize;
        stacksize++;
      }
    }
    else {
      if ( stacksize == btcodesize ) {
        // process this permutation
        
        // first fill in the unordered closing sequence
        int ddsize = deletededges.size () - 1;
        for ( int i = 0; i < ddsize; i++ ) {
          closetuples[i].label = deletededges[i+1].edgelabel;
          int p = 0;
          int ni = nodesinbt[deletededges[i+1].fromnode];
          while ( ni != NONODE ) {
            p += btcode[ni];
            ni = btparent[ni];
          }
          closetuples[i].from = nodesinpreorder[p] + 1; // TAKE CARE OF THE +1
          p = 0;
          ni = nodesinbt[deletededges[i+1].tonode];
          while ( ni != NONODE ) {
            p += btcode[ni];
            ni = btparent[ni];
          }
          closetuples[i].to = nodesinpreorder[p] + 1;
          if ( closetuples[i].to > closetuples[i].from )
            swap ( closetuples[i].to, closetuples[i].from );
        }
        
        // then sort it, while comparing with the current one.
        // stop when we discover that we can do better
        // algorithm: bubblesort ( in stead of insertion sort)
        for ( int i = 1; i < ddsize; i++ ) {
          int j = ddsize - 1;
          while ( j >= i ) {
            if ( closetuples[j-1] > closetuples[j] )
              swap ( closetuples[j-1], closetuples[j] );
            j--;
          }
          if ( closetuples[i-1] < (*GraphState::closetuples)[i-1] ) {
            return 2;
          }
          if ( closetuples[i-1] > (*GraphState::closetuples)[i-1] )
            goto end2; // continue with next permutation
        }
        if ( closetuples[ddsize-1] < (*GraphState::closetuples)[ddsize-1] ) {
          return 1; // the last tuple was lower!
        }
      }
end2:
      stackpos--;
      stacksize--;
      if ( stacksize == 0 ) {
        break; // all permutations considered
      }
      if ( btcode[stackpos] == -1 ) {
        stacksize--;
stackpos--;
      }
      swap ( btcode[permstack[stackpos]], btcode[stackpos] );
      permstack[stackpos]++;
    }
  }
 
  return 0;
}
 
void GraphState::puti ( FILE *f, int i ) {
  char array[100];
  int k = 0;
  do {
    array[k] = ( i % 10 ) + '0';
    i /= 10;
    k++;
  }
  while ( i != 0 );
  do {
    k--;
    putc ( array[k], f );
  } while ( k );
}