%module vmdimd_raw

%{
#define SWIG_FILE_WITH_INIT

#include "imd.h"
#include "vmdsock.h"

#if defined(_WIN32) || defined(__WIN32__)
#   include <Windows.h>
#   define SLEEP(x) (Sleep((x) * 1000.0))
#else
#   define SLEEP(x) (sleep((x)))
#endif

%}


%inline %{
static void *clientsock=NULL;
static int tryConnection=0;
static int tryingConnection=0;

void makeConnection(int port) {
  void *sock;
  int length;

  Py_BEGIN_ALLOW_THREADS

  tryConnection=1;
  tryingConnection=1;

  vmdsock_init();
  sock = vmdsock_create();
  vmdsock_bind(sock, port);
  vmdsock_listen(sock);

  clientsock = NULL;
  while (!clientsock) {
    SLEEP(0.1);
    if (tryConnection==0) break;
    if (vmdsock_selread(sock, 0) > 0) {
      clientsock = vmdsock_accept(sock);
      if (imd_handshake(clientsock)) {
        clientsock = NULL;
      };
    }
  }

  if (clientsock && tryConnection==1) {
    SLEEP(1);
    if (vmdsock_selread(clientsock, 0) != 1 ||
        imd_recv_header(clientsock, &length) != IMD_GO) {
      clientsock = NULL;
    }
  }
  tryingConnection=0;
  Py_END_ALLOW_THREADS
}

void stopTryingConnection() {
    tryConnection=0;
}

int isConnected() {
  if (!clientsock)
    return 0;
  return 1;
}

void closeConnection() {
  tryConnection=0;
  while (tryingConnection==1) {
    SLEEP(0.05);
  }
  if (clientsock) {
    vmdsock_shutdown(clientsock);
    vmdsock_destroy(clientsock);
  }
  Py_BEGIN_ALLOW_THREADS
  SLEEP(1);
  Py_END_ALLOW_THREADS
}

void sendEnergies(int   tstep,
                  float T,
                  float Etot,
                  float Epot,
                  float Evdw,
                  float Eelec,
                  float Ebond,
                  float Eangle,
                  float Edihe,
                  float Eimpr) {
  IMDEnergies e;
  if (clientsock) {
    e.tstep=tstep;
    e.T=T;
    e.Etot=Etot;
    e.Epot=Epot;
    e.Evdw=Evdw;
    e.Eelec=Eelec;
    e.Ebond=Ebond;
    e.Eangle=Eangle;
    e.Edihe=Edihe;
    e.Eimpr=Eimpr;
    imd_send_energies(clientsock, &e);
  }
}

void sendCoords(PyObject *coords) {
  int i, numAtoms;
  PyObject *xyz;
  float *buf;
  if (clientsock) {
    numAtoms = PyList_Size(coords);
    buf = (float *) malloc(sizeof(float) * 3*numAtoms);
    for (i=0; i<numAtoms; i++) { 
      xyz = PyList_GetItem(coords, i);
      PyArg_ParseTuple(xyz, "fff", &buf[3*i+0], &buf[3*i+1], &buf[3*i+2]); 
    }
    imd_send_fcoords(clientsock, numAtoms, buf);
    free(buf);
  }
}
%}