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libcifpp
Commits
1addd2be
Unverified
Commit
1addd2be
authored
Sep 06, 2023
by
Maarten L. Hekkelman
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documented point
parent
2aebfc29
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3 changed files
with
7 additions
and
4 deletions
+7
-4
docs/Doxyfile.in
+1
-1
include/cif++/atom_type.hpp
+6
-3
include/cif++/point.hpp
+0
-0
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docs/Doxyfile.in
View file @
1addd2be
...
@@ -3,7 +3,7 @@ FILE_PATTERNS = *.hpp
...
@@ -3,7 +3,7 @@ FILE_PATTERNS = *.hpp
STRIP_FROM_PATH = @DOXYGEN_INPUT_DIR@
STRIP_FROM_PATH = @DOXYGEN_INPUT_DIR@
RECURSIVE = YES
RECURSIVE = YES
GENERATE_XML = YES
GENERATE_XML = YES
PREDEFINED += and=&& or=|| not=! CIFPP_EXPORT=
PREDEFINED += and=&& or=|| not=! CIFPP_EXPORT=
HAVE_LIBCLIPPER=1
GENERATE_HTML = NO
GENERATE_HTML = NO
GENERATE_TODOLIST = NO
GENERATE_TODOLIST = NO
INPUT = @DOXYGEN_INPUT_DIR@
INPUT = @DOXYGEN_INPUT_DIR@
include/cif++/atom_type.hpp
View file @
1addd2be
...
@@ -301,12 +301,15 @@ class atom_type_traits
...
@@ -301,12 +301,15 @@ class atom_type_traits
return
type
==
ionic_radius_type
::
effective
?
effective_ionic_radius
(
charge
)
:
crystal_ionic_radius
(
charge
);
return
type
==
ionic_radius_type
::
effective
?
effective_ionic_radius
(
charge
)
:
crystal_ionic_radius
(
charge
);
}
}
// data type encapsulating the Waasmaier & Kirfel scattering factors
/**
// in a simplified form (only a and b).
* @brief data type encapsulating the scattering factors
// Added the electrion scattering factors as well
* in a simplified form (only a and b).
*/
struct
SFData
struct
SFData
{
{
/** @cond */
double
a
[
6
],
b
[
6
];
double
a
[
6
],
b
[
6
];
/** @endcond */
};
};
// to get the Cval and Siva scattering factor values, use this constant as charge:
// to get the Cval and Siva scattering factor values, use this constant as charge:
...
...
include/cif++/point.hpp
View file @
1addd2be
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