src/pygromacs/sip/definitions.sip

   1
   2 %Exception std::out_of_range(SIP_IndexError) {
   3
   4 %TypeHeaderCode
   5 #include <stdexcept>
   6 %End
   7
   8 %RaiseCode
   9     SIP_BLOCK_THREADS
  10     PyErr_SetString(PyExc_IndexError, sipExceptionRef.what());
  11     SIP_UNBLOCK_THREADS
  12 %End
  13 };
  14
  15 template<T> class RealVector /NoDefaultCtors/ {
  16 %TypeHeaderCode
  17 #include "vec.h"
  18 %End
  19
  20 public:
  21     T x;
  22     T y;
  23     T z;
  24     T operator[] (unsigned int i) throw (std::out_of_range);
  25     PyObject* __str__();
  26     %MethodCode
  27         size_t size = PyOS_snprintf(NULL, 0, "Vector [%f, %f, %f]", sipCpp->x, sipCpp->y, sipCpp->z);
  28         char str[size + 1];
  29         PyOS_snprintf(str, size + 1, "Vector [%f, %f, %f]", sipCpp->x, sipCpp->y, sipCpp->z);
  30
  31         return PyUnicode_FromString(str);
  32     %End
  33 };
  34
  35 template<T, Adaptor, Inner> class Array /NoDefaultCtors/ {
  36 %TypeHeaderCode
  37 #include "vec.h"
  38 %End
  39
  40 public:
  41     Adaptor operator[] (unsigned int i) throw (std::out_of_range);
  42     SIP_SSIZE_T __len__();
  43     %MethodCode
  44         sipRes = sipCpp->len();
  45     %End
  46 };
  47
  48 class Matrix /NoDefaultCtors/ {
  49 %TypeHeaderCode
  50 #include "vec.h"
  51 %End
  52
  53 public:
  54     py_rvec __getitem__(int) throw (std::out_of_range);
  55     %MethodCode
  56         try {
  57             sipRes = new py_rvec(sipCpp->get(a0));
  58         } catch (const std::out_of_range &e) {
  59             sipIsErr = 1;
  60             SIP_BLOCK_THREADS
  61             PyErr_SetString(PyExc_IndexError, e.what());
  62             SIP_UNBLOCK_THREADS
  63         }
  64     %End
  65     double __getitem__(SIP_PYTUPLE) throw (std::out_of_range);
  66     %MethodCode
  67         size_t i, j;
  68         if (PyArg_ParseTuple(a0, "nn", &i, &j))
  69             try {
  70                 sipRes = sipCpp->get(i, j);
  71             } catch (const std::out_of_range &e) {
  72                 sipIsErr = 1;
  73                 SIP_BLOCK_THREADS
  74                 PyErr_SetString(PyExc_IndexError, e.what());
  75                 SIP_UNBLOCK_THREADS
  76             }
  77         else
  78             sipIsErr = 1;
  79     %End
  80 };
  81
  82 typedef double* rvec;
  83 typedef double* dvec;
  84 typedef double** matrix;
  85 typedef double** tensor;
  86 typedef int* ivec;
  87 typedef int** imatrix;
  88
  89 typedef RealVector<double> py_rvec;
  90 typedef Array<double, py_rvec, rvec> rvecs;