Package: ball / 1.4.1+20111206-4

Metadata

Package Version Patches format
ball 1.4.1+20111206-4 3.0 (quilt)

Patch series

view the series file
Patch File delta Description
0001 missingSigned.patch | (download)

include/BALL/DATATYPE/hashGrid.h | 2 1 + 1 - 0 !
source/DATATYPE/hashGrid.C | 2 1 + 1 - 0 !
2 files changed, 2 insertions(+), 2 deletions(-)

 missingsigned

===================================================================

0002 fix_python_sip_const.patch | (download)

source/PYTHON/EXTENSIONS/BALL/file.sip | 2 1 + 1 - 0 !
source/PYTHON/EXTENSIONS/BALL/periodicBoundary.sip | 4 2 + 2 - 0 !
source/PYTHON/EXTENSIONS/VIEW/mainControl.sip | 2 1 + 1 - 0 !
3 files changed, 4 insertions(+), 4 deletions(-)

 fix_python_sip_const

===================================================================

0003 Add Copyconstructor to String.patch | (download)

include/BALL/DATATYPE/string.h | 3 3 + 0 - 0 !
include/BALL/DATATYPE/string.iC | 5 5 + 0 - 0 !
2 files changed, 8 insertions(+)

 add copyconstructor to string

Needed for GCC 4.7

0004 Fix compilation of hashMap.h on gcc 4.7.patch | (download)

include/BALL/DATATYPE/hashMap.h | 9 2 + 7 - 0 !
1 file changed, 2 insertions(+), 7 deletions(-)

 fix compilation of hashmap.h on gcc-4.7


0005 Modify BALL_RELEASE_STRING macro.patch | (download)

source/COMMON/version.C | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

 modify ball_release_string macro

GCC 4.7 mistook DATE__ for a c++11 literal

0006 Fix compilation of binaryFileAdaptor with gcc 4.7.patch | (download)

include/BALL/SYSTEM/binaryFileAdaptor.h | 53 27 + 26 - 0 !
1 file changed, 27 insertions(+), 26 deletions(-)

 fix compilation of binaryfileadaptor with gcc-4.7


0007 Fixed the FPT version of bond order assignment.patch | (download)

include/BALL/DATATYPE/GRAPH/graphAlgorithms.h | 7 3 + 4 - 0 !
include/BALL/DATATYPE/GRAPH/treeWidth.h | 44 39 + 5 - 0 !
include/BALL/DATATYPE/GRAPH/treeWidth.iC | 131 83 + 48 - 0 !
source/DATATYPE/GRAPH/treeWidth.C | 24 24 + 0 - 0 !
source/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.C | 12 5 + 7 - 0 !
5 files changed, 154 insertions(+), 64 deletions(-)

 fixed the fpt version of bond order assignment

This commit fixes quite a large number of bugs, e.g., crashes due to
uninitialized variables for hand-drawn molecules (had strange bond ordering
and were thus ignored) or wrong tree decompositions. The most important
change was fixing the tree decomposition for cases where greedy did not
return the correct solution (which fortunately is very rare).

0008 Added MAX_PENALTY option to bond order assignment.patch | (download)

include/BALL/DATATYPE/GRAPH/treeWidth.h | 28 14 + 14 - 0 !
include/BALL/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.h | 16 5 + 11 - 0 !
include/BALL/STRUCTURE/assignBondOrderProcessor.h | 30 26 + 4 - 0 !
source/APPLICATIONS/UTILITIES/assign_bond_orders.C | 34 25 + 9 - 0 !
source/DATATYPE/GRAPH/treeWidth.C | 2 1 + 1 - 0 !
source/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.C | 199 84 + 115 - 0 !
source/STRUCTURE/assignBondOrderProcessor.C | 44 31 + 13 - 0 !
7 files changed, 186 insertions(+), 167 deletions(-)

 added max_penalty option to bond order assignment


0009 Fixed a bug in the AssignBondOrderProcessor.patch | (download)

include/BALL/STRUCTURE/BONDORDERS/bondOrderAssignment.h | 2 1 + 1 - 0 !
source/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.C | 13 8 + 5 - 0 !
source/STRUCTURE/assignBondOrderProcessor.C | 27 19 + 8 - 0 !
source/TEST/AssignBondOrderProcessor_test.C | 50 39 + 11 - 0 !
4 files changed, 67 insertions(+), 25 deletions(-)

 fixed a bug in the assignbondorderprocessor


0010 Fix compilation of FTPBondOrderStrategy Fixes 451.patch | (download)

source/STRUCTURE/BONDORDERS/FPTBondOrderStrategy.C | 33 18 + 15 - 0 !
1 file changed, 18 insertions(+), 15 deletions(-)

 fix compilation of ftpbondorderstrategy (fixes #451)

This patch is due to Daniel Stoeckel.

0011 Fix compilation of Python bindings with new sip vers.patch | (download)

source/PYTHON/EXTENSIONS/BALL/PTE_.sip | 2 1 + 1 - 0 !
1 file changed, 1 insertion(+), 1 deletion(-)

 fix compilation of python bindings with new sip versions.

For some reason, sip does not like static members of the same type as the class.
In this case, a varget_... - method is generated with the wrong arguments
(unnamed parameter which should be called "sipSelf"). This patch works around
it.