sequenzo 0.1.31__cp310-cp310-macosx_10_9_x86_64.whl

sequenzo/clustering/sequenzo_fastcluster/src/fastcluster_python.cpp

@@ -0,0 +1,1264 @@
+/*
+  fastcluster: Fast hierarchical clustering routines for R and Python
+
+  Copyright:
+    * Until package version 1.1.23: © 2011 Daniel Müllner <https://danifold.net>
+    * All changes from version 1.1.24 on: © Google Inc. <https://www.google.com>
+*/
+
+// for INT32_MAX in fastcluster.cpp
+// This must be defined here since Python.h loads the header file pyport.h,
+// and from this stdint.h. INT32_MAX is defined in stdint.h, but only if
+// __STDC_LIMIT_MACROS is defined.
+#define __STDC_LIMIT_MACROS
+
+#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION
+
+#if __GNUC__ > 4 || (__GNUC__ == 4 && (__GNUC_MINOR__ >= 6))
+#define HAVE_DIAGNOSTIC 1
+#endif
+
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wswitch-default"
+#pragma GCC diagnostic ignored "-Wpadded"
+#pragma GCC diagnostic ignored "-Wlong-long"
+#pragma GCC diagnostic ignored "-Wformat"
+#endif
+#include <Python.h>
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wlong-long"
+#pragma GCC diagnostic ignored "-Wpedantic"
+#pragma GCC diagnostic ignored "-Wpadded"
+#pragma GCC diagnostic ignored "-Wcast-qual"
+#endif
+#include <numpy/arrayobject.h>
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+
+/* It's complicated, but if I do not include the C++ math headers, GCC
+   will complain about conversions from 'double' to 'float', whenever 'isnan'
+   is called in a templated function (but not outside templates).
+
+   The '#include <cmath>' seems to cure the problem.
+*/
+//#include <cmath>
+#define fc_isnan(X) ((X)!=(X))
+
+// There is Py_IS_NAN but it is so much slower on my x86_64 system with GCC!
+
+#include <cmath> // for std::abs, std::pow, std::sqrt
+#include <cstddef> // for std::ptrdiff_t
+#include <limits> // for std::numeric_limits<...>::infinity()
+#include <algorithm> // for std::stable_sort
+#include <new> // for std::bad_alloc
+#include <exception> // for std::exception
+
+#include "fastcluster.cpp"
+
+// backwards compatibility
+#ifndef NPY_ARRAY_CARRAY_RO
+#define NPY_ARRAY_CARRAY_RO NPY_CARRAY_RO
+#endif
+
+/* Since the public interface is given by the Python respectively R interface,
+ * we do not want other symbols than the interface initalization routines to be
+ * visible in the shared object file. The "visibility" switch is a GCC concept.
+ * Hiding symbols keeps the relocation table small and decreases startup time.
+ * See http://gcc.gnu.org/wiki/Visibility
+ */
+#if HAVE_VISIBILITY
+#pragma GCC visibility push(hidden)
+#endif
+
+/*
+  Convenience class for the output array: automatic counter.
+*/
+class linkage_output {
+private:
+  t_float * Z;
+
+public:
+  linkage_output(t_float * const Z_)
+    : Z(Z_)
+  {}
+
+  void append(const t_index node1, const t_index node2, const t_float dist,
+              const t_float size) {
+    if (node1<node2) {
+      *(Z++) = static_cast<t_float>(node1);
+      *(Z++) = static_cast<t_float>(node2);
+    }
+    else {
+      *(Z++) = static_cast<t_float>(node2);
+      *(Z++) = static_cast<t_float>(node1);
+    }
+    *(Z++) = dist;
+    *(Z++) = size;
+  }
+};
+
+/*
+  Generate the SciPy-specific output format for a dendrogram from the
+  clustering output.
+
+  The list of merging steps can be sorted or unsorted.
+*/
+// The size of a node is either 1 (a single point) or is looked up from
+// one of the clusters.
+#define size_(r_) ( ((r_<N) ? 1 : Z_(r_-N,3)) )
+
+template <const bool sorted>
+static void generate_SciPy_dendrogram(t_float * const Z, cluster_result & Z2, const t_index N) {
+  // The array "nodes" is a union-find data structure for the cluster
+  // identities (only needed for unsorted cluster_result input).
+  union_find nodes(sorted ? 0 : N);
+  if (!sorted) {
+    std::stable_sort(Z2[0], Z2[N-1]);
+  }
+
+  linkage_output output(Z);
+  t_index node1, node2;
+
+  for (node const * NN=Z2[0]; NN!=Z2[N-1]; ++NN) {
+    // Get two data points whose clusters are merged in step i.
+    if (sorted) {
+      node1 = NN->node1;
+      node2 = NN->node2;
+    }
+    else {
+      // Find the cluster identifiers for these points.
+      node1 = nodes.Find(NN->node1);
+      node2 = nodes.Find(NN->node2);
+      // Merge the nodes in the union-find data structure by making them
+      // children of a new node.
+      nodes.Union(node1, node2);
+    }
+    output.append(node1, node2, NN->dist, size_(node1)+size_(node2));
+  }
+}
+
+/*
+  Python interface code
+*/
+static PyObject * linkage_wrap(PyObject * const self, PyObject * const args);
+static PyObject * linkage_vector_wrap(PyObject * const self, PyObject * const args);
+
+// List the C++ methods that this extension provides.
+static PyMethodDef _fastclusterWrapMethods[] = {
+  {"linkage_wrap", linkage_wrap, METH_VARARGS, NULL},
+  {"linkage_vector_wrap", linkage_vector_wrap, METH_VARARGS, NULL},
+  {NULL, NULL, 0, NULL}    /* Sentinel - marks the end of this structure */
+};
+
+/* Tell Python about these methods.
+
+   Python 2.x and 3.x differ in their C APIs for this part.
+*/
+#if PY_VERSION_HEX >= 0x03000000
+
+static struct PyModuleDef fastclustermodule = {
+  PyModuleDef_HEAD_INIT,
+  "_sequenzo_fastcluster",
+  NULL, // no module documentation
+  -1,  /* size of per-interpreter state of the module,
+          or -1 if the module keeps state in global variables. */
+  _fastclusterWrapMethods,
+  NULL, NULL, NULL, NULL
+};
+
+/* Make the interface initalization routines visible in the shared object
+ * file.
+ */
+#if HAVE_VISIBILITY
+#pragma GCC visibility push(default)
+#endif
+
+PyMODINIT_FUNC PyInit__sequenzo_fastcluster(void) {
+  PyObject * m;
+  m = PyModule_Create(&fastclustermodule);
+  if (!m) {
+    return NULL;
+  }
+  import_array();  // Must be present for NumPy. Called first after above line.
+  return m;
+}
+
+#if HAVE_VISIBILITY
+#pragma GCC visibility pop
+#endif
+
+# else // Python 2.x
+
+#if HAVE_VISIBILITY
+#pragma GCC visibility push(default)
+#endif
+
+PyMODINIT_FUNC init_sequenzo_fastcluster(void)  {
+  (void) Py_InitModule("_sequenzo_fastcluster", _fastclusterWrapMethods);
+  import_array();  // Must be present for NumPy. Called first after above line.
+}
+
+#if HAVE_VISIBILITY
+#pragma GCC visibility pop
+#endif
+
+#endif // PY_VERSION
+
+class GIL_release
+  {
+  private:
+    // noncopyable
+    GIL_release(GIL_release const &);
+    GIL_release & operator=(GIL_release const &);
+  public:
+    inline
+    GIL_release(bool really = true)
+      : _save(really ? PyEval_SaveThread() : NULL)
+    {
+    }
+
+    inline
+    ~GIL_release()
+    {
+      if (_save)
+        PyEval_RestoreThread(_save);
+    }
+
+  private:
+    PyThreadState * _save;
+  };
+
+/*
+  Interface to Python, part 1:
+  The input is a dissimilarity matrix.
+*/
+
+static PyObject *linkage_wrap(PyObject * const, PyObject * const args) {
+  PyArrayObject * D, * Z;
+  long int N_ = 0;
+  unsigned char method;
+
+  try{
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+    // Parse the input arguments
+    if (!PyArg_ParseTuple(args, "lO!O!b",
+                          &N_,                // signed long integer
+                          &PyArray_Type, &D, // NumPy array
+                          &PyArray_Type, &Z, // NumPy array
+                          &method)) {        // unsigned char
+      return NULL; // Error if the arguments have the wrong type.
+    }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    if (N_ < 1 ) {
+      // N must be at least 1.
+      PyErr_SetString(PyExc_ValueError,
+                      "At least one element is needed for clustering.");
+      return NULL;
+    }
+
+    /*
+      (1)
+      The biggest index used below is 4*(N-2)+3, as an index to Z. This must
+      fit into the data type used for indices.
+      (2)
+      The largest representable integer, without loss of precision, by a
+      floating point number of type t_float is 2^T_FLOAT_MANT_DIG. Here, we
+      make sure that all cluster labels from 0 to 2N-2 in the output can be
+      accurately represented by a floating point number.
+
+      Conversion of N to 64 bits below is not really necessary but it prevents
+      a warning ("shift count >= width of type") on systems where "long int"
+      is 32 bits wide.
+    */
+    if (N_ > MAX_INDEX/4 ||
+        static_cast<int64_t>(N_-1)>>(T_FLOAT_MANT_DIG-1) > 0) {
+      PyErr_SetString(PyExc_ValueError,
+                      "Data is too big, index overflow.");
+      return NULL;
+    }
+    t_index N = static_cast<t_index>(N_);
+
+    // Allow threads!
+    GIL_release G;
+
+    t_float * const D_ = reinterpret_cast<t_float *>(PyArray_DATA(D));
+    cluster_result Z2(N-1);
+    auto_array_ptr<t_index> members;
+    // For these methods, the distance update formula needs the number of
+    // data points in a cluster.
+    if (method==METHOD_METR_AVERAGE ||
+        method==METHOD_METR_WARD ||
+        method==METHOD_METR_WARD_D2 ||
+        method==METHOD_METR_CENTROID) {
+      members.init(N, 1);
+    }
+    // Operate on squared distances for these methods.
+    if (method==METHOD_METR_WARD ||
+        method==METHOD_METR_WARD_D2 ||
+        method==METHOD_METR_CENTROID ||
+        method==METHOD_METR_MEDIAN) {
+      for (t_float * DD = D_; DD!=D_+static_cast<std::ptrdiff_t>(N)*(N-1)/2;
+           ++DD)
+        *DD *= *DD;
+    }
+
+    switch (method) {
+    case METHOD_METR_SINGLE:
+      MST_linkage_core(N, D_, Z2);
+      break;
+    case METHOD_METR_COMPLETE:
+      NN_chain_core<METHOD_METR_COMPLETE, t_index>(N, D_, NULL, Z2);
+      break;
+    case METHOD_METR_AVERAGE:
+      NN_chain_core<METHOD_METR_AVERAGE, t_index>(N, D_, members, Z2);
+      break;
+    case METHOD_METR_WEIGHTED:
+      NN_chain_core<METHOD_METR_WEIGHTED, t_index>(N, D_, NULL, Z2);
+      break;
+    case METHOD_METR_WARD:
+      NN_chain_core<METHOD_METR_WARD, t_index>(N, D_, members, Z2);
+      break;
+    case METHOD_METR_WARD_D2:
+      NN_chain_core<METHOD_METR_WARD_D2, t_index>(N, D_, members, Z2);
+      break;
+    case METHOD_METR_CENTROID:
+      generic_linkage<METHOD_METR_CENTROID, t_index>(N, D_, members, Z2);
+      break;
+    case METHOD_METR_MEDIAN:
+      generic_linkage<METHOD_METR_MEDIAN, t_index>(N, D_, NULL, Z2);
+      break;
+    default:
+      throw std::runtime_error(std::string("Invalid method index."));
+    }
+
+    if (method==METHOD_METR_WARD_D2 ||
+        method==METHOD_METR_CENTROID ||
+        method==METHOD_METR_MEDIAN) {
+      Z2.sqrt();
+    }
+
+    t_float * const Z_ = reinterpret_cast<t_float *>(PyArray_DATA(Z));
+    if (method==METHOD_METR_CENTROID ||
+        method==METHOD_METR_MEDIAN) {
+      generate_SciPy_dendrogram<true>(Z_, Z2, N);
+    }
+    else {
+      generate_SciPy_dendrogram<false>(Z_, Z2, N);
+    }
+  } // try
+  catch (const std::bad_alloc&) {
+    return PyErr_NoMemory();
+  }
+  catch(const std::exception& e){
+    PyErr_SetString(PyExc_EnvironmentError, e.what());
+    return NULL;
+  }
+  catch(const nan_error&){
+    PyErr_SetString(PyExc_FloatingPointError, "NaN dissimilarity value.");
+    return NULL;
+  }
+  #ifdef FE_INVALID
+  catch(const fenv_error&){
+    PyErr_SetString(PyExc_FloatingPointError,
+                    "NaN dissimilarity value in intermediate results.");
+    return NULL;
+  }
+  #endif
+  catch(...){
+    PyErr_SetString(PyExc_EnvironmentError,
+                    "C++ exception (unknown reason). Please send a bug report.");
+    return NULL;
+  }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+  Py_RETURN_NONE;
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+}
+
+/*
+   Part 2: Clustering on vector data
+*/
+
+/* Metric codes.
+
+   These codes must agree with the dictionary mtridx in fastcluster.py.
+*/
+enum metric_codes {
+  // metrics
+  METRIC_EUCLIDEAN       =  0,
+  METRIC_MINKOWSKI       =  1,
+  METRIC_CITYBLOCK       =  2,
+  METRIC_SEUCLIDEAN      =  3,
+  METRIC_SQEUCLIDEAN     =  4,
+  METRIC_COSINE          =  5,
+  METRIC_HAMMING         =  6,
+  METRIC_JACCARD         =  7,
+  METRIC_CHEBYCHEV       =  8,
+  METRIC_CANBERRA        =  9,
+  METRIC_BRAYCURTIS      = 10,
+  METRIC_MAHALANOBIS     = 11,
+  METRIC_YULE            = 12,
+  METRIC_MATCHING        = 13,
+  METRIC_DICE            = 14,
+  METRIC_ROGERSTANIMOTO  = 15,
+  METRIC_RUSSELLRAO      = 16,
+  METRIC_SOKALSNEATH     = 17,
+  METRIC_KULSINSKI       = 18,
+  METRIC_USER            = 19,
+  METRIC_INVALID         = 20, // sentinel
+  METRIC_JACCARD_BOOL    = 21, // separate function for Jaccard metric on
+};                             // Boolean input data
+
+/*
+   Helper class: Throw this if calling the Python interpreter from within
+   C returned an error.
+*/
+class pythonerror {};
+
+/*
+  This class handles all the information about the dissimilarity
+  computation.
+*/
+
+class python_dissimilarity {
+private:
+  t_float * Xa;
+  std::ptrdiff_t dim; // size_t saves many statis_cast<> in products
+  t_index N;
+  auto_array_ptr<t_float> Xnew;
+  t_index * members;
+  void (cluster_result::*postprocessfn) (const t_float) const;
+  t_float postprocessarg;
+
+  t_float (python_dissimilarity::*distfn) (const t_index, const t_index) const;
+
+  // for user-defined metrics
+  PyObject * X_Python;
+  PyObject * userfn;
+
+  auto_array_ptr<t_float> precomputed;
+  t_float * precomputed2;
+
+  PyArrayObject * V;
+  const t_float * V_data;
+
+  // noncopyable
+  python_dissimilarity();
+  python_dissimilarity(python_dissimilarity const &);
+  python_dissimilarity & operator=(python_dissimilarity const &);
+
+public:
+  // Ignore warning about uninitialized member variables. I know what I am
+  // doing here, and some member variables are only used for certain metrics.
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Weffc++"
+#endif
+  python_dissimilarity (PyArrayObject * const Xarg,
+                        t_index * const members_,
+                        const method_codes method,
+                        const metric_codes metric,
+                        PyObject * const extraarg,
+                        bool temp_point_array)
+    : Xa(reinterpret_cast<t_float *>(PyArray_DATA(Xarg))),
+      dim(PyArray_DIM(Xarg, 1)),
+      N(static_cast<t_index>(PyArray_DIM(Xarg, 0))),
+      Xnew(temp_point_array ? (N-1)*dim : 0),
+      members(members_),
+      postprocessfn(NULL),
+      V(NULL)
+  {
+    switch (method) {
+    case METHOD_METR_SINGLE:
+      postprocessfn = NULL; // default
+      switch (metric) {
+      case METRIC_EUCLIDEAN:
+        set_euclidean();
+        break;
+      case METRIC_SEUCLIDEAN:
+        if (extraarg==NULL) {
+          PyErr_SetString(PyExc_TypeError,
+              "The 'seuclidean' metric needs a variance parameter.");
+          throw pythonerror();
+        }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+        V = reinterpret_cast<PyArrayObject *>(PyArray_FromAny(extraarg,
+                PyArray_DescrFromType(NPY_DOUBLE),
+                1, 1,
+                NPY_ARRAY_CARRAY_RO,
+                NULL));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+        if (PyErr_Occurred()) {
+          throw pythonerror();
+        }
+        if (PyArray_DIM(V, 0)!=dim) {
+          PyErr_SetString(PyExc_ValueError,
+          "The variance vector must have the same dimensionality as the data.");
+          throw pythonerror();
+        }
+        V_data = reinterpret_cast<t_float *>(PyArray_DATA(V));
+        distfn = &python_dissimilarity::seuclidean;
+        postprocessfn = &cluster_result::sqrt;
+        break;
+      case METRIC_SQEUCLIDEAN:
+        distfn = &python_dissimilarity::sqeuclidean<false>;
+        break;
+      case METRIC_CITYBLOCK:
+        set_cityblock();
+        break;
+      case METRIC_CHEBYCHEV:
+        set_chebychev();
+        break;
+      case METRIC_MINKOWSKI:
+        set_minkowski(extraarg);
+        break;
+      case METRIC_COSINE:
+        distfn = &python_dissimilarity::cosine;
+        postprocessfn = &cluster_result::plusone;
+        // precompute norms
+        precomputed.init(N);
+        for (t_index i=0; i<N; ++i) {
+          t_float sum=0;
+          for (t_index k=0; k<dim; ++k) {
+            sum += X(i,k)*X(i,k);
+          }
+          precomputed[i] = 1/std::sqrt(sum);
+        }
+        break;
+      case METRIC_HAMMING:
+        distfn = &python_dissimilarity::hamming;
+        postprocessfn = &cluster_result::divide;
+        postprocessarg = static_cast<t_float>(dim);
+        break;
+      case METRIC_JACCARD:
+        distfn = &python_dissimilarity::jaccard;
+        break;
+      case METRIC_CANBERRA:
+        distfn = &python_dissimilarity::canberra;
+        break;
+      case METRIC_BRAYCURTIS:
+        distfn = &python_dissimilarity::braycurtis;
+        break;
+      case METRIC_MAHALANOBIS:
+        if (extraarg==NULL) {
+          PyErr_SetString(PyExc_TypeError,
+            "The 'mahalanobis' metric needs a parameter for the inverse covariance.");
+          throw pythonerror();
+        }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+        V = reinterpret_cast<PyArrayObject *>(PyArray_FromAny(extraarg,
+              PyArray_DescrFromType(NPY_DOUBLE),
+              2, 2,
+              NPY_ARRAY_CARRAY_RO,
+              NULL));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+        if (PyErr_Occurred()) {
+          throw pythonerror();
+        }
+        if (PyArray_DIM(V, 0)!=N || PyArray_DIM(V, 1)!=dim) {
+          PyErr_SetString(PyExc_ValueError,
+            "The inverse covariance matrix has the wrong size.");
+          throw pythonerror();
+        }
+        V_data = reinterpret_cast<t_float *>(PyArray_DATA(V));
+        distfn = &python_dissimilarity::mahalanobis;
+        postprocessfn = &cluster_result::sqrt;
+        break;
+      case METRIC_YULE:
+        distfn = &python_dissimilarity::yule;
+        break;
+      case METRIC_MATCHING:
+        distfn = &python_dissimilarity::matching;
+        postprocessfn = &cluster_result::divide;
+        postprocessarg = static_cast<t_float>(dim);
+        break;
+      case METRIC_DICE:
+        distfn = &python_dissimilarity::dice;
+        break;
+      case METRIC_ROGERSTANIMOTO:
+        distfn = &python_dissimilarity::rogerstanimoto;
+        break;
+      case METRIC_RUSSELLRAO:
+        distfn = &python_dissimilarity::russellrao;
+        postprocessfn = &cluster_result::divide;
+        postprocessarg = static_cast<t_float>(dim);
+        break;
+      case METRIC_SOKALSNEATH:
+        distfn = &python_dissimilarity::sokalsneath;
+        break;
+      case METRIC_KULSINSKI:
+        distfn = &python_dissimilarity::kulsinski;
+        postprocessfn = &cluster_result::plusone;
+        precomputed.init(N);
+        for (t_index i=0; i<N; ++i) {
+          t_index sum=0;
+          for (t_index k=0; k<dim; ++k) {
+            sum += Xb(i,k);
+          }
+          precomputed[i] = -.5/static_cast<t_float>(sum);
+        }
+        break;
+      case METRIC_USER:
+        X_Python = reinterpret_cast<PyObject *>(Xarg);
+        this->userfn = extraarg;
+        distfn = &python_dissimilarity::user;
+        break;
+      default: // case METRIC_JACCARD_BOOL:
+        distfn = &python_dissimilarity::jaccard_bool;
+      }
+      break;
+
+    case METHOD_METR_WARD:
+      postprocessfn = &cluster_result::sqrtward;
+      break;
+    
+    case METHOD_METR_WARD_D2:
+      postprocessfn = &cluster_result::sqrtdouble;
+      break;
+
+    default:
+      postprocessfn = &cluster_result::sqrt;
+    }
+  }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+
+  ~python_dissimilarity() {
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+    Py_XDECREF(V);
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+  }
+
+  inline t_float operator () (const t_index i, const t_index j) const {
+    return (this->*distfn)(i,j);
+  }
+
+  inline t_float X (const t_index i, const t_index j) const {
+    return Xa[i*dim+j];
+  }
+
+  inline bool Xb (const t_index i, const t_index j) const {
+    return  reinterpret_cast<bool *>(Xa)[i*dim+j];
+  }
+
+  inline t_float * Xptr(const t_index i, const t_index j) const {
+    return Xa+i*dim+j;
+  }
+
+  void merge(const t_index i, const t_index j, const t_index newnode) const {
+    t_float const * const Pi = i<N ? Xa+i*dim : Xnew+(i-N)*dim;
+    t_float const * const Pj = j<N ? Xa+j*dim : Xnew+(j-N)*dim;
+    for(t_index k=0; k<dim; ++k) {
+      Xnew[(newnode-N)*dim+k] = (Pi[k]*static_cast<t_float>(members[i]) +
+                                 Pj[k]*static_cast<t_float>(members[j])) /
+        static_cast<t_float>(members[i]+members[j]);
+    }
+    members[newnode] = members[i]+members[j];
+  }
+
+  void merge_weighted(const t_index i, const t_index j, const t_index newnode)
+    const {
+    t_float const * const Pi = i<N ? Xa+i*dim : Xnew+(i-N)*dim;
+    t_float const * const Pj = j<N ? Xa+j*dim : Xnew+(j-N)*dim;
+    for(t_index k=0; k<dim; ++k) {
+      Xnew[(newnode-N)*dim+k] = (Pi[k]+Pj[k])*.5;
+    }
+  }
+
+  void merge_inplace(const t_index i, const t_index j) const {
+    t_float const * const Pi = Xa+i*dim;
+    t_float * const Pj = Xa+j*dim;
+    for(t_index k=0; k<dim; ++k) {
+      Pj[k] = (Pi[k]*static_cast<t_float>(members[i]) +
+               Pj[k]*static_cast<t_float>(members[j])) /
+        static_cast<t_float>(members[i]+members[j]);
+    }
+    members[j] += members[i];
+  }
+
+  void merge_inplace_weighted(const t_index i, const t_index j) const {
+    t_float const * const Pi = Xa+i*dim;
+    t_float * const Pj = Xa+j*dim;
+    for(t_index k=0; k<dim; ++k) {
+      Pj[k] = (Pi[k]+Pj[k])*.5;
+    }
+  }
+
+  void postprocess(cluster_result & Z2) const {
+    if (postprocessfn!=NULL) {
+        (Z2.*postprocessfn)(postprocessarg);
+    }
+  }
+
+  inline t_float ward(const t_index i, const t_index j) const {
+    t_float mi = static_cast<t_float>(members[i]);
+    t_float mj = static_cast<t_float>(members[j]);
+    return sqeuclidean<true>(i,j)*mi*mj/(mi+mj);
+  }
+
+  inline t_float ward_initial(const t_index i, const t_index j) const {
+    // alias for sqeuclidean
+    // Factor 2!!!
+    return sqeuclidean<true>(i,j);
+  }
+
+  // This method must not produce NaN if the input is non-NaN.
+  inline static t_float ward_initial_conversion(const t_float min) {
+    return min*.5;
+  }
+
+  inline t_float ward_extended(const t_index i, const t_index j) const {
+    t_float mi = static_cast<t_float>(members[i]);
+    t_float mj = static_cast<t_float>(members[j]);
+    return sqeuclidean_extended(i,j)*mi*mj/(mi+mj);
+  }
+
+  /* We need two variants of the Euclidean metric: one that does not check
+     for a NaN result, which is used for the initial distances, and one which
+     does, for the updated distances during the clustering procedure.
+  */
+  template <const bool check_NaN>
+  t_float sqeuclidean(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    /*
+      for (t_index k=0; k<dim; ++k) {
+      t_float diff = X(i,k) - X(j,k);
+      sum += diff*diff;
+      }
+    */
+    // faster
+    t_float const * Pi = Xa+i*dim;
+    t_float const * Pj = Xa+j*dim;
+    for (t_index k=0; k<dim; ++k) {
+      t_float diff = Pi[k] - Pj[k];
+      sum += diff*diff;
+    }
+    if (check_NaN) {
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+      if (fc_isnan(sum))
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+        throw(nan_error());
+    }
+    return sum;
+  }
+
+  t_float sqeuclidean_extended(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    t_float const * Pi = i<N ? Xa+i*dim : Xnew+(i-N)*dim; // TBD
+    t_float const * Pj = j<N ? Xa+j*dim : Xnew+(j-N)*dim;
+    for (t_index k=0; k<dim; ++k) {
+      t_float diff = Pi[k] - Pj[k];
+      sum += diff*diff;
+    }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+    if (fc_isnan(sum))
+      throw(nan_error());
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    return sum;
+  }
+
+private:
+  void set_minkowski(PyObject * extraarg) {
+    if (extraarg==NULL) {
+      PyErr_SetString(PyExc_TypeError,
+                      "The Minkowski metric needs a parameter.");
+      throw pythonerror();
+    }
+    postprocessarg = PyFloat_AsDouble(extraarg);
+    if (PyErr_Occurred()) {
+      throw pythonerror();
+    }
+
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+    if (postprocessarg==std::numeric_limits<t_float>::infinity()) {
+      set_chebychev();
+    }
+    else if (postprocessarg==1.0){
+      set_cityblock();
+    }
+    else if (postprocessarg==2.0){
+      set_euclidean();
+    }
+    else {
+      distfn = &python_dissimilarity::minkowski;
+      postprocessfn = &cluster_result::power;
+    }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+  }
+
+  void set_euclidean() {
+    distfn = &python_dissimilarity::sqeuclidean<false>;
+    postprocessfn = &cluster_result::sqrt;
+  }
+
+  void set_cityblock() {
+    distfn = &python_dissimilarity::cityblock;
+  }
+
+  void set_chebychev() {
+    distfn = &python_dissimilarity::chebychev;
+  }
+
+  t_float seuclidean(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      t_float diff = X(i,k)-X(j,k);
+      sum += diff*diff/V_data[k];
+    }
+    return sum;
+  }
+
+  t_float cityblock(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      sum += std::abs(X(i,k)-X(j,k));
+    }
+    return sum;
+  }
+
+  t_float minkowski(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      sum += std::pow(std::abs(X(i,k)-X(j,k)),postprocessarg);
+    }
+    return sum;
+  }
+
+  t_float chebychev(const t_index i, const t_index j) const {
+    t_float max = 0;
+    for (t_index k=0; k<dim; ++k) {
+      t_float diff = std::abs(X(i,k)-X(j,k));
+      if (diff>max) {
+        max = diff;
+      }
+    }
+    return max;
+  }
+
+  t_float cosine(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      sum -= X(i,k)*X(j,k);
+    }
+    return sum*precomputed[i]*precomputed[j];
+  }
+
+  t_float hamming(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+      sum += (X(i,k)!=X(j,k));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    }
+    return sum;
+  }
+
+  // Differs from scipy.spatial.distance: equal vectors correctly
+  // return distance 0.
+  t_float jaccard(const t_index i, const t_index j) const {
+    t_index sum1 = 0;
+    t_index sum2 = 0;
+    for (t_index k=0; k<dim; ++k) {
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+      sum1 += (X(i,k)!=X(j,k));
+      sum2 += ((X(i,k)!=0) || (X(j,k)!=0));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    }
+    return sum1==0 ? 0 : static_cast<t_float>(sum1) / static_cast<t_float>(sum2);
+  }
+
+  t_float canberra(const t_index i, const t_index j) const {
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      t_float numerator = std::abs(X(i,k)-X(j,k));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wfloat-equal"
+#endif
+      sum += numerator==0 ? 0 : numerator / (std::abs(X(i,k)) + std::abs(X(j,k)));
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    }
+    return sum;
+  }
+
+  t_float user(const t_index i, const t_index j) const {
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+    PyObject * u = PySequence_ITEM(X_Python, i);
+    PyObject * v = PySequence_ITEM(X_Python, j);
+    PyObject * result = PyObject_CallFunctionObjArgs(userfn, u, v, NULL);
+    Py_DECREF(u);
+    Py_DECREF(v);
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    if (result==NULL) {
+      throw pythonerror();
+    }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+    const t_float C_result = PyFloat_AsDouble(result);
+    Py_DECREF(result);
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+    if (PyErr_Occurred()) {
+      throw pythonerror();
+    }
+    return C_result;
+  }
+
+  t_float braycurtis(const t_index i, const t_index j) const {
+    t_float sum1 = 0;
+    t_float sum2 = 0;
+    for (t_index k=0; k<dim; ++k) {
+      sum1 += std::abs(X(i,k)-X(j,k));
+      sum2 += std::abs(X(i,k)+X(j,k));
+    }
+    return sum1/sum2;
+  }
+
+  t_float mahalanobis(const t_index i, const t_index j) const {
+    // V_data contains the product X*VI
+    t_float sum = 0;
+    for (t_index k=0; k<dim; ++k) {
+      sum += (V_data[i*dim+k]-V_data[j*dim+k])*(X(i,k)-X(j,k));
+    }
+    return sum;
+  }
+
+  t_index mutable NTT; // 'local' variables
+  t_index mutable NXO;
+  t_index mutable NTF;
+  #define NTFFT NTF
+  #define NFFTT NTT
+
+  void nbool_correspond(const t_index i, const t_index j) const {
+    NTT = 0;
+    NXO = 0;
+    for (t_index k=0; k<dim; ++k) {
+      NTT += (Xb(i,k) &  Xb(j,k)) ;
+      NXO += (Xb(i,k) ^  Xb(j,k)) ;
+    }
+  }
+
+  void nbool_correspond_tfft(const t_index i, const t_index j) const {
+    NTT = 0;
+    NXO = 0;
+    NTF = 0;
+    for (t_index k=0; k<dim; ++k) {
+      NTT += (Xb(i,k) &  Xb(j,k)) ;
+      NXO += (Xb(i,k) ^  Xb(j,k)) ;
+      NTF += (Xb(i,k) & !Xb(j,k)) ;
+    }
+    NTF *= (NXO-NTF); // NTFFT
+    NTT *= (static_cast<t_index>(dim)-NTT-NXO); // NFFTT
+  }
+
+  void nbool_correspond_xo(const t_index i, const t_index j) const {
+    NXO = 0;
+    for (t_index k=0; k<dim; ++k) {
+      NXO += (Xb(i,k) ^ Xb(j,k)) ;
+    }
+  }
+
+  void nbool_correspond_tt(const t_index i, const t_index j) const {
+    NTT = 0;
+    for (t_index k=0; k<dim; ++k) {
+      NTT += (Xb(i,k) & Xb(j,k)) ;
+    }
+  }
+
+  t_float yule(const t_index i, const t_index j) const {
+    nbool_correspond_tfft(i, j);
+    return (NTFFT==0) ? 0 :
+      static_cast<t_float>(2*NTFFT) / static_cast<t_float>(NTFFT + NFFTT);
+  }
+
+  // Prevent a zero denominator for equal vectors.
+  t_float dice(const t_index i, const t_index j) const {
+    nbool_correspond(i, j);
+    return (NXO==0) ? 0 :
+      static_cast<t_float>(NXO) / static_cast<t_float>(NXO+2*NTT);
+  }
+
+  t_float rogerstanimoto(const t_index i, const t_index j) const {
+    nbool_correspond_xo(i, j);
+    return static_cast<t_float>(2*NXO) / static_cast<t_float>(NXO+dim);
+  }
+
+  t_float russellrao(const t_index i, const t_index j) const {
+    nbool_correspond_tt(i, j);
+    return static_cast<t_float>(dim-NTT);
+  }
+
+  // Prevent a zero denominator for equal vectors.
+  t_float sokalsneath(const t_index i, const t_index j) const {
+    nbool_correspond(i, j);
+    return (NXO==0) ? 0 :
+      static_cast<t_float>(2*NXO) / static_cast<t_float>(NTT+2*NXO);
+  }
+
+  t_float kulsinski(const t_index i, const t_index j) const {
+    nbool_correspond_tt(i, j);
+    return static_cast<t_float>(NTT) * (precomputed[i] + precomputed[j]);
+  }
+
+  // 'matching' distance = Hamming distance
+  t_float matching(const t_index i, const t_index j) const {
+    nbool_correspond_xo(i, j);
+    return static_cast<t_float>(NXO);
+  }
+
+  // Prevent a zero denominator for equal vectors.
+  t_float jaccard_bool(const t_index i, const t_index j) const {
+    nbool_correspond(i, j);
+    return (NXO==0) ? 0 :
+      static_cast<t_float>(NXO) / static_cast<t_float>(NXO+NTT);
+  }
+};
+
+static PyObject *linkage_vector_wrap(PyObject * const, PyObject * const args) {
+  PyArrayObject * X, * Z;
+  unsigned char method, metric;
+  PyObject * extraarg;
+
+  try{
+    // Parse the input arguments
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+    if (!PyArg_ParseTuple(args, "O!O!bbO",
+                          &PyArray_Type, &X, // NumPy array
+                          &PyArray_Type, &Z, // NumPy array
+                          &method,           // unsigned char
+                          &metric,           // unsigned char
+                          &extraarg )) {     // Python object
+      return NULL;
+    }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+
+    if (PyArray_NDIM(X) != 2) {
+      PyErr_SetString(PyExc_ValueError,
+                      "The input array must be two-dimensional.");
+    }
+    npy_intp const N_ = PyArray_DIM(X, 0);
+    if (N_ < 1 ) {
+      // N must be at least 1.
+      PyErr_SetString(PyExc_ValueError,
+                      "At least one element is needed for clustering.");
+      return NULL;
+    }
+
+    npy_intp const dim = PyArray_DIM(X, 1);
+    if (dim < 1 ) {
+      PyErr_SetString(PyExc_ValueError,
+                      "Invalid dimension of the data set.");
+      return NULL;
+    }
+
+    /*
+      (1)
+      The biggest index used below is 4*(N-2)+3, as an index to Z. This must
+      fit into the data type used for indices.
+      (2)
+      The largest representable integer, without loss of precision, by a
+      floating point number of type t_float is 2^T_FLOAT_MANT_DIG. Here, we
+      make sure that all cluster labels from 0 to 2N-2 in the output can be
+      accurately represented by a floating point number.
+
+      Conversion of N to 64 bits below is not really necessary but it prevents
+      a warning ("shift count >= width of type") on systems where "int" is 32
+      bits wide.
+    */
+    if (N_ > MAX_INDEX/4 || dim > MAX_INDEX ||
+        static_cast<int64_t>(N_-1)>>(T_FLOAT_MANT_DIG-1) > 0) {
+      PyErr_SetString(PyExc_ValueError,
+                      "Data is too big, index overflow.");
+      return NULL;
+    }
+    t_index N = static_cast<t_index>(N_);
+
+    cluster_result Z2(N-1);
+
+    auto_array_ptr<t_index> members;
+    if (method==METHOD_METR_WARD || method==METHOD_METR_WARD_D2 || method==METHOD_METR_CENTROID) {
+      members.init(2*N-1, 1);
+    }
+
+    if ((method!=METHOD_METR_SINGLE && metric!=METRIC_EUCLIDEAN) ||
+        metric>=METRIC_INVALID) {
+      PyErr_SetString(PyExc_IndexError, "Invalid metric index.");
+      return NULL;
+    }
+
+    if (PyArray_ISBOOL(X)) {
+      if (metric==METRIC_HAMMING) {
+        metric = METRIC_MATCHING; // Alias
+      }
+      if (metric==METRIC_JACCARD) {
+        metric = METRIC_JACCARD_BOOL;
+      }
+    }
+
+    if (extraarg!=Py_None &&
+        metric!=METRIC_MINKOWSKI &&
+        metric!=METRIC_SEUCLIDEAN &&
+        metric!=METRIC_MAHALANOBIS &&
+        metric!=METRIC_USER) {
+      PyErr_SetString(PyExc_TypeError,
+                      "No extra parameter is allowed for this metric.");
+      return NULL;
+    }
+
+    /* temp_point_array must be true if the alternative algorithm
+       is used below (currently for the centroid and median methods). */
+    bool temp_point_array = (method==METHOD_METR_CENTROID ||
+                             method==METHOD_METR_MEDIAN);
+
+    python_dissimilarity dist(X, members, static_cast<method_codes>(method),
+                              static_cast<metric_codes>(metric), extraarg,
+                              temp_point_array);
+
+    if (method!=METHOD_METR_SINGLE &&
+        method!=METHOD_METR_WARD &&
+        method!=METHOD_METR_WARD_D2 &&
+        method!=METHOD_METR_CENTROID &&
+        method!=METHOD_METR_MEDIAN) {
+      PyErr_SetString(PyExc_IndexError, "Invalid method index.");
+      return NULL;
+    }
+
+    // Allow threads if the metric is not "user"!
+    GIL_release G(metric!=METRIC_USER);
+
+    switch (method) {
+    case METHOD_METR_SINGLE:
+      MST_linkage_core_vector(N, dist, Z2);
+      break;
+    case METHOD_METR_WARD:
+      generic_linkage_vector<METHOD_VECTOR_WARD>(N, dist, Z2);
+      break;
+    case METHOD_METR_WARD_D2:
+      generic_linkage_vector<METHOD_VECTOR_WARD_D2>(N, dist, Z2);
+      break;
+    case METHOD_METR_CENTROID:
+      generic_linkage_vector_alternative<METHOD_VECTOR_CENTROID>(N, dist, Z2);
+      break;
+    default: // case METHOD_METR_MEDIAN:
+      generic_linkage_vector_alternative<METHOD_VECTOR_MEDIAN>(N, dist, Z2);
+    }
+
+    if (method==METHOD_METR_WARD ||
+        method==METHOD_METR_WARD_D2 ||
+        method==METHOD_METR_CENTROID) {
+      members.free();
+    }
+
+    dist.postprocess(Z2);
+
+    t_float * const Z_ = reinterpret_cast<t_float *>(PyArray_DATA(Z));
+    if (method!=METHOD_METR_SINGLE) {
+      generate_SciPy_dendrogram<true>(Z_, Z2, N);
+    }
+    else {
+      generate_SciPy_dendrogram<false>(Z_, Z2, N);
+    }
+  } // try
+  catch (const std::bad_alloc&) {
+    return PyErr_NoMemory();
+  }
+  catch(const std::exception& e){
+    PyErr_SetString(PyExc_EnvironmentError, e.what());
+    return NULL;
+  }
+  catch(const nan_error&){
+    PyErr_SetString(PyExc_FloatingPointError, "NaN dissimilarity value.");
+    return NULL;
+  }
+  catch(const pythonerror){
+    return NULL;
+  }
+  catch(...){
+    PyErr_SetString(PyExc_EnvironmentError,
+                    "C++ exception (unknown reason). Please send a bug report.");
+    return NULL;
+  }
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic push
+#pragma GCC diagnostic ignored "-Wold-style-cast"
+#endif
+  Py_RETURN_NONE;
+#if HAVE_DIAGNOSTIC
+#pragma GCC diagnostic pop
+#endif
+}
+
+#if HAVE_VISIBILITY
+#pragma GCC visibility pop
+#endif