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Martin Kurečka
Plumed AlphaFold
Commits
4f2e881c
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Commit
4f2e881c
authored
8 years ago
by
Giovanni Bussi
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Small fixes in doc
[makedoc]
parent
0363cc20
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src/wrapper/Plumed.h
+17
-6
17 additions, 6 deletions
src/wrapper/Plumed.h
with
17 additions
and
6 deletions
src/wrapper/Plumed.h
+
17
−
6
View file @
4f2e881c
...
...
@@ -233,7 +233,7 @@ void plumed_finalize(plumed p);
/** \relates plumed
\brief Check if plumed is installed (for runtime binding)
\return 1 if plumed is installed,
to
0 otherwise
\return 1 if plumed is installed, 0 otherwise
*/
int
plumed_installed
(
void
);
...
...
@@ -254,7 +254,7 @@ int plumed_ginitialized(void);
/** \relates plumed
\brief Constructor for the global interface.
\note Equivalent to plumed_create(), but initialize
a
static global plumed object
\note Equivalent to plumed_create(), but initialize
the
static global plumed object
*/
void
plumed_gcreate
(
void
);
...
...
@@ -265,14 +265,16 @@ void plumed_gcreate(void);
\param val The argument. It is declared as const to allow calls like plumed_gcmd("A","B"),
but for some choice of key it can change the content
\note Equivalent to plumed_cmd(), but skipping the plumed argument
\note Equivalent to plumed_cmd(), but acting on the global plumed object.
It thus does not require the plumed object to be specified.
*/
void
plumed_gcmd
(
const
char
*
key
,
const
void
*
val
);
/** \relates plumed
\brief Destructor for the global interface.
\note Equivalent to plumed_finalize(), but skipping the plumed argument
\note Equivalent to plumed_finalize(), but acting on the global plumed object.
It thus does not require the plumed object to be specified.
*/
void
plumed_gfinalize
(
void
);
...
...
@@ -312,6 +314,9 @@ namespace PLMD {
*/
class
Plumed
{
/**
C structure.
*/
plumed
main
;
/**
keeps track if the object was created from scratch using
...
...
@@ -325,16 +330,19 @@ public:
/**
Check if plumed is installed (for runtime binding)
\return true if plumed is installed, false otherwise
\note Equivalent to plumed_installed() but returns a bool
*/
static
bool
installed
();
/**
Check if global-plumed has been initialized
\return true if global plumed object (see global()) is initialized (i.e. if gcreate() has been
called), false otherwise.
\note Equivalent to plumed_ginitialized() but returns a bool
*/
static
bool
ginitialized
();
/**
Initialize global-plumed
Initialize global-plumed.
\note Equivalent to plumed_gcreate()
*/
static
void
gcreate
();
/**
...
...
@@ -342,6 +350,7 @@ public:
\param key The name of the command to be executed
\param val The argument. It is declared as const to allow calls like gcmd("A","B"),
but for some choice of key it can change the content
\note Equivalent to plumed_gcmd()
*/
static
void
gcmd
(
const
char
*
key
,
const
void
*
val
);
/**
...
...
@@ -354,7 +363,8 @@ public:
*/
static
Plumed
global
();
/**
Constructor
Constructor.
\note Performs the same task a plumed_create()
*/
Plumed
();
/**
...
...
@@ -407,6 +417,7 @@ public:
\param key The name of the command to be executed
\param val The argument. It is declared as const to allow calls like p.cmd("A","B"),
but for some choice of key it can change the content
\note Equivalent to plumed_cmd()
*/
void
cmd
(
const
char
*
key
,
const
void
*
val
=
NULL
);
/**
...
...
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