pip-install-ghxuqwgs/numpy_78e94bf2b6094bf9a1f3d92042f9bf46/doc/f2py/notes.tex

\section{Calling wrapper functions from Python}
\label{sec:notes}

\subsection{Scalar arguments}
\label{sec:scalars}

In general, for scalar argument you can pass in in
addition to ordinary Python scalars (like integers, floats, complex
values) also arbitrary sequence objects (lists, arrays, strings) ---
then the first element of a sequence is passed in to the Fortran routine.

It is recommended that you always pass in scalars of required type. This
ensures the correctness as no type-casting is needed.
However, no exception is raised if type-casting would produce
inaccurate or incorrect results! For example, in place of an expected
complex value you can give an integer, or vice-versa (in the latter case only
a rounded real part of the complex value will be used).

If the argument is \texttt{intent(inout)} then Fortran routine can change the
value ``in place'' only if you pass in a sequence object, for
instance, rank-0 array. Also make sure that the type of an array is of
correct type. Otherwise type-casting will be performed and you may
get inaccurate or incorrect results. The following example illustrates this
\begin{verbatim}
>>> a = array(0)
>>> calculate_pi(a)
>>> print a
3
\end{verbatim}

If you pass in an ordinary Python scalar in place of
\texttt{intent(inout)} variable, it will be used as an input argument 
since
Python
scalars cannot not be changed ``in place'' (all Python scalars
are immutable objects).

\subsection{String arguments}
\label{sec:strings}

You can pass in strings of arbitrary length. If the length is greater than
required, only a required part of the string is used. If the length
is smaller than required, additional memory is allocated and fulfilled
with `\texttt{\bs0}'s.

Because Python strings are immutable, \texttt{intent(inout)} argument
expects an array version of a string --- an array of chars:
\texttt{array("<string>")}. 
Otherwise, the change ``in place'' has no effect.


\subsection{Array arguments}
\label{sec:arrays}

If the size of an array is relatively large, it is \emph{highly
  recommended} that you pass in arrays of required type. Otherwise,
type-casting will be performed which includes the creation of new
arrays and their copying.  If the argument is also
\texttt{intent(inout)}, the wasted time is doubled. So, pass in arrays
of required type!

On the other hand, there are situations where it is perfectly all
right to ignore this recommendation: if the size of an array is
relatively small or the actual time spent in Fortran routine takes
much longer than copying an array.  Anyway, if you want to optimize
your Python code, start using arrays of required types.

Another source of performance hit is when you use non-contiguous
arrays. The performance hit will be exactly the same as when using
incorrect array types.  This is because a contiguous copy is created
to be passed in to the Fortran routine.

\fpy provides a feature such that the ranks of array arguments need
not to match --- only the correct total size matters. For example, if
the wrapper function expects a rank-1 array \texttt{array([...])},
then it is correct to pass in rank-2 (or higher) arrays
\texttt{array([[...],...,[...]])} assuming that the sizes will match.
This is especially useful when the arrays should contain only one
element (size is 1).  Then you can pass in arrays \texttt{array(0)},
\texttt{array([0])}, \texttt{array([[0]])}, etc and all cases are
handled correctly. In this case it is correct to pass in a Python
scalar in place of an array (but then ``change in place'' is ignored,
of course).

\subsubsection{Multidimensional arrays}

If you are using rank-2 or higher rank arrays, you must always
remember that indexing in Fortran starts from the lowest dimension
while in Python (and in C) the indexing starts from the highest
dimension (though some compilers have switches to change this).  As a
result, if you pass in a 2-dimensional array then the Fortran routine
sees it as the transposed version of the array (in multi-dimensional
case the indexes are reversed).

You must take this matter into account also when modifying the
signature file and interpreting the generated Python signatures:

\begin{itemize}
\item First, when initializing an array using \texttt{init\_expr}, the index
vector \texttt{\_i[]} changes accordingly to Fortran convention.
\item Second, the result of CPP-macro \texttt{shape(<array>,0)}
  corresponds to the last dimension of the Fortran array, etc.
\end{itemize}
Let me illustrate this with the following example:\\
\begin{verbatim}
! Fortran file: arr.f
       subroutine arr(l,m,n,a)
       integer l,m,n
       real*8 a(l,m,n)
       ...
       end
\end{verbatim}
\fpy will generate the following signature file:\\
\begin{verbatim}
!%f90
! Signature file: arr.f90
python module arr ! in 
  interface  ! in :arr
    subroutine arr(l,m,n,a) ! in :arr:arr.f
      integer optional,check(shape(a,2)==l),depend(a) :: l=shape(a,2)
      integer optional,check(shape(a,1)==m),depend(a) :: m=shape(a,1)
      integer optional,check(shape(a,0)==n),depend(a) :: n=shape(a,0)
      real*8 dimension(l,m,n) :: a
    end subroutine arr
  end interface 
end python module arr
\end{verbatim}
and the following wrapper function will be produced
\begin{verbatim}
None = arr(a,l=shape(a,2),m=shape(a,1),n=shape(a,0))
\end{verbatim}

In general, I would suggest not to specify the given optional
variables \texttt{l,m,n} when calling the wrapper function --- let the
interface find the values of the variables \texttt{l,m,n}. But there
are occasions when you need to specify the dimensions in Python.

So, in Python a proper way to create an array from the given
dimensions is
\begin{verbatim}
>>> a = zeros(n,m,l,'d')
\end{verbatim}
(note that the dimensions are reversed and correct type is specified),
and then a complete call to \texttt{arr} is
\begin{verbatim}
>>> arr(a,l,m,n)
\end{verbatim}

From the performance point of view, always be consistent with Fortran
indexing convention, that is, use transposed arrays. But if you do the
following
\begin{verbatim}
>>> a = transpose(zeros(l,m,n,'d'))
>>> arr(a)
\end{verbatim}
then you will get a performance hit! The reason is that here the
transposition is not actually performed. Instead, the array \texttt{a}
will be non-contiguous which means that before calling a Fortran
routine, internally a contiguous array is created which
includes memory allocation and copying. In addition, if
the argument array is also \texttt{intent(inout)}, the results are
copied  back to the initial array which doubles the
performance hit!

So, to improve the performance: always pass in
arrays that are contiguous.

\subsubsection{Work arrays}

Often Fortran routines use the so-called work arrays. The
corresponding arguments can be declared as optional arguments, but be
sure that all dimensions are specified (bounded) and defined before
the initialization (dependence relations).

On the other hand, if you call the Fortran routine many times then you
don't want to allocate/deallocate the memory of the work arrays on
every call. In this case it is recommended that you create temporary
arrays with proper sizes in Python and use them as work arrays. But be
careful when specifying the required type and be sure that the
temporary arrays are contiguous. Otherwise the performance hit would
be even harder than the hit when not using the temporary arrays from
Python!



\subsection{Call-back arguments}
\label{sec:cbargs}

\fpy builds a very flexible call-back mechanisms for call-back
arguments. If the wrapper function expects a call-back function \texttt{fun}
with the following Python signature to be passed in
\begin{verbatim}
def fun(a_1,...,a_n):
     ...
     return x_1,...,x_k
\end{verbatim}
but the user passes in a function \texttt{gun} with the signature
\begin{verbatim}
def gun(b_1,...,b_m):
     ...
     return y_1,...,y_l
\end{verbatim}
and the following extra arguments (specified as additional optional
argument for the wrapper function):
\begin{verbatim}
fun_extra_args = (e_1,...,e_p)
\end{verbatim}
then the actual call-back is constructed accordingly to the following rules:
\begin{itemize}
\item if \texttt{p==0} then \texttt{gun(a\_1,...,a\_q)}, where
  \texttt{q=min(m,n)};
\item if \texttt{n+p<=m}  then \texttt{gun(a\_1,...,a\_n,e\_1,...,e\_p)};
\item if \texttt{p<=m<n+p}  then \texttt{gun(a\_1,...,a\_q,e\_1,...,e\_p)},
  where \texttt{q=m-p};
\item if \texttt{p>m}  then \texttt{gun(e\_1,...,e\_m)};
\item if \texttt{n+p}  is less than the number of required arguments
  of the function \texttt{gun}, an exception is raised.
\end{itemize}

A call-back function \texttt{gun} may return any number of objects as a tuple:
if \texttt{k<l}, then objects \texttt{y\_k+1,...,y\_l} are ignored;
if \texttt{k>l}, then only objects \texttt{x\_1,...,x\_l} are set.


\subsection{Obtaining information on wrapper functions}
\label{sec:info}

From the previous sections we learned that it is useful for the
performance to pass in arguments of expected type, if possible. To
know what are the expected types, \fpy generates a complete
documentation strings for all wrapper functions. You can read them
from Python by printing out \texttt{\_\_doc\_\_} attributes of the
wrapper functions.  For the example in Sec.~\ref{sec:intro}:
\begin{verbatim}
>>> print foobar.foo.__doc__
Function signature:
  foo(a)
Required arguments:
  a : in/output rank-0 array(int,'i')
>>> print foobar.bar.__doc__
Function signature:
  bar = bar(a,b)
Required arguments:
  a : input int
  b : input int
Return objects:
  bar : int
\end{verbatim}

In addition, \fpy generates a LaTeX document
(\texttt{<modulename>module.tex}) containing a bit more information on
the wrapper functions. See for example Appendix that contains a result
of the documentation generation for the example module
\texttt{foobar}.  Here the file \texttt{foobar-smart.f90} (modified
version of \texttt{foobar.f90}) is used --- it contains
\texttt{note(<LaTeX text>)} attributes for specifying some additional
information.

\subsection{Wrappers for common blocks}
\label{sec:wrapcomblock}

[See examples \texttt{test-site/e/runme*}]

What follows is obsolute for \fpy version higher that 2.264.

\fpy generates wrapper functions for common blocks. For every common
block with a name \texttt{<commonname>} a function
\texttt{get\_<commonname>()} is constructed that takes no arguments
and returns a dictionary. The dictionary represents maps between the
names of common block fields and the arrays containing the common
block fields (multi-dimensional arrays are transposed). So, in order
to access to the common block fields, you must first obtain the
references
\begin{verbatim}
commonblock = get_<commonname>()
\end{verbatim}
and then the fields are available through the arrays
\texttt{commonblock["<fieldname>"]}.
To change the values of common block fields, you can use for scalars
\begin{verbatim}
commonblock["<fieldname>"][0] = <new value>
\end{verbatim}
and for arrays
\begin{verbatim}
commonblock["<fieldname>"][:] = <new array>
\end{verbatim}
for example.

For more  information  on the particular   common block  wrapping, see
\texttt{get\_<commonname>.\_\_doc\_\_}.

\subsection{Wrappers for F90/95 module data and routines}
\label{sec:wrapf90modules}

[See example \texttt{test-site/mod/runme\_mod}]

\subsection{Examples}
\label{sec:examples}

Examples on various aspects of wrapping Fortran routines to Python can
be  found        in   directories      \texttt{test-site/d/}       and
\texttt{test-site/e/}: study  the shell scripts \texttt{runme\_*}. See
also files in \texttt{doc/ex1/}.


%%% Local Variables: 
%%% mode: latex
%%% TeX-master: "f2py2e"
%%% End: