source: molecuilder/src@ 32842d8

Name Size Rev Age Author Last Change
../
Views 98a2987   16 years Till Crueger Added -Wall flag and fixed several small hickups
unittests e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
UIElements 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
test 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
Patterns c8d1952   16 years Till Crueger Made the cacheable always recalculate when the owner is in the process …
Menu 770138   16 years Till Crueger Added mechanism that deactivates undo and redo menupoint if not applicable
Legacy 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
Helpers 32842d8   16 years Till Crueger Removed Algebraic Hierachy from vector.
Exceptions 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
Descriptors 5738177   16 years Till Crueger Added a generic Iterator that can be used to iterate only over certain …
Actions 770138   16 years Till Crueger Added mechanism that deactivates undo and redo menupoint if not applicable
World_calculations.hpp 595 bytes ​ bb89b9   16 years Till Crueger Added overloaded methods for all methods in the world taking an …
World.hpp 7.3 KB ​ 5738177   16 years Till Crueger Added a generic Iterator that can be used to iterate only over certain …
World.cpp 6.3 KB ​ 5738177   16 years Till Crueger Added a generic Iterator that can be used to iterate only over certain …
version.h 98 bytes ​ 0af58f   16 years FrederikHeber Fixed versioning. - FIX: version.h was falsely excluded in .gitignore …
verbose.hpp 1.4 KB ​ 548cbf   16 years FrederikHeber BUGFIX: Output is again indented, errorLogger prefixes according to …
verbose.cpp 2.2 KB ​ edf611   16 years FrederikHeber New Info class that contains a global verbosity level, increased per …
vector_ops.hpp 431 bytes ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
vector_ops.cpp 7.0 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
vector.hpp 3.3 KB ​ 32842d8   16 years Till Crueger Removed Algebraic Hierachy from vector.
vector.cpp 17.6 KB ​ 32842d8   16 years Till Crueger Removed Algebraic Hierachy from vector.
valence.db 1.5 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
types.hpp 412 bytes ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
tesselationhelpers.hpp 3.8 KB ​ ff4611   16 years FrederikHeber Attempt to fix the embedding. Basically it would be working, but …
tesselationhelpers.cpp 39.2 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
tesselation.hpp 15.0 KB ​ 478683   16 years FrederikHeber GetDistanceToSurface() separated, filling now with water instead of …
tesselation.cpp 208.7 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
stackclass.hpp 8.0 KB ​ 418117a   16 years FrederikHeber Verbosity corrected for ERROR and WARNING - present ERROR and WARNING …
ReMapDBondFileFromXYZ.py 5.9 KB ​ 3e20fe   17 years neuen Parses a pdb and xyz file and decideds which atoms are in both and …
Plane.hpp 969 bytes ​ 0f55b2   16 years Till Crueger Started work on the VectorComposites
Plane.cpp 5.4 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
periodentafel.hpp 1.8 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
periodentafel.cpp 11.0 KB ​ d639c7   16 years Till Crueger Fixed memory leak in periodentafel
parser.hpp 4.8 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
parser.cpp 47.0 KB ​ 478683   16 years FrederikHeber GetDistanceToSurface() separated, filling now with water instead of …
orbitals.db 442 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
moleculelist.cpp 46.7 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule_template.hpp 16.8 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule_pointcloud.cpp 2.1 KB ​ ff4611   16 years FrederikHeber Attempt to fix the embedding. Basically it would be working, but …
molecule_graph.cpp 60.6 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule_geometry.cpp 17.1 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
molecule_fragmentation.cpp 76.3 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule_dynamics.cpp 34.3 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule.hpp 21.4 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
molecule.cpp 45.5 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
memoryusageobserver.hpp 1.3 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
memoryusageobserver.cpp 2.9 KB ​ 2c69a9   16 years FrederikHeber cstdlib header was missing, necessary for free, malloc and calloc …
memoryallocator.hpp 4.1 KB ​ 2c69a9   16 years FrederikHeber cstdlib header was missing, necessary for free, malloc and calloc …
Makefile.am 6.9 KB ​ 32842d8   16 years Till Crueger Removed Algebraic Hierachy from vector.
logger.hpp 752 bytes ​ c3f8c4   16 years Till Crueger Made logger class use the new Singleton framework
logger.cpp 1.4 KB ​ c3f8c4   16 years Till Crueger Made logger class use the new Singleton framework
log.hpp 272 bytes ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
log.cpp 686 bytes ​ e9f2e1   16 years Till Crueger Made the errorLogger use the new Singleton framework
lists.hpp 4.1 KB ​ 7bfc19   16 years Till Crueger Made the world solely responsible for creating and destroying atoms.
lists.cpp 412 bytes ​ 7bfc19   16 years Till Crueger Made the world solely responsible for creating and destroying atoms.
linkedcell.hpp 2.1 KB ​ a9b2a0a   16 years FrederikHeber Huge refactoring to make const what is const (ticket #38), continued. …
linkedcell.cpp 9.0 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
linearsystemofequations.hpp 1.1 KB ​ 70e11d   16 years FrederikHeber Inclusion of config.h was missing. This caused a bug with GSL's …
linearsystemofequations.cpp 3.6 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
leastsquaremin.hpp 950 bytes ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
leastsquaremin.cpp 686 bytes ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
joiner.cpp 11.4 KB ​ e6fe8a   16 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
info.hpp 609 bytes ​ edf611   16 years FrederikHeber New Info class that contains a global verbosity level, increased per …
info.cpp 693 bytes ​ edf611   16 years FrederikHeber New Info class that contains a global verbosity level, increased per …
helpers.hpp 5.3 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
helpers.cpp 6.7 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
Hbonddistance.db 204 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
Hbondangle.db 180 bytes ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
gslvector.hpp 1.1 KB ​ 70e11d   16 years FrederikHeber Inclusion of config.h was missing. This caused a bug with GSL's …
gslvector.cpp 3.6 KB ​ 7b991d   16 years FrederikHeber FIX - GSLVector::Set() return value was double instead of void. …
gslmatrix.hpp 1.4 KB ​ 70e11d   16 years FrederikHeber Inclusion of config.h was missing. This caused a bug with GSL's …
gslmatrix.cpp 7.2 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
graph.hpp 2.9 KB ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
graph.cpp 3.7 KB ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
errorlogger.hpp 807 bytes ​ e9f2e1   16 years Till Crueger Made the errorLogger use the new Singleton framework
errorlogger.cpp 1.9 KB ​ e9f2e1   16 years Till Crueger Made the errorLogger use the new Singleton framework
ellipsoid.hpp 1.2 KB ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
ellipsoid.cpp 16.5 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
elements.db 4.4 KB ​ e08f45   17 years FrederikHeber Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull Conflicts: …
element.hpp 2.0 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
element.cpp 1.7 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
defs.hpp 5.0 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
datacreator.hpp 5.0 KB ​ 17b3a5c   16 years FrederikHeber forward declarations used to untangle interdependet classes. - …
datacreator.cpp 35.6 KB ​ e65cc0   16 years Till Crueger Small fixes
config.hpp 4.5 KB ​ 538744   16 years Till Crueger Moved saveConfig method from oldmenu to a method inside config class
config.cpp 104.2 KB ​ 71910a   16 years Till Crueger Made data internal data-structure of vector class private - Replaced …
builder.cpp 98.3 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
boundary.hpp 2.8 KB ​ 1aa2a5   16 years FrederikHeber FillBoxWithMolecule now allows boundary between filler molecules and …
boundary.cpp 49.6 KB ​ e7ea64   16 years Till Crueger Changed implementation of Vector to forward operations to contained objects
bondgraph.hpp 1.4 KB ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
bondgraph.cpp 5.7 KB ​ 478683   16 years FrederikHeber GetDistanceToSurface() separated, filling now with water instead of …
bond.hpp 2.0 KB ​ 1fcedd   16 years FrederikHeber New function bond::GetDistance...() - bond::GetDistance() and …
bond.cpp 3.6 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
atom_trajectoryparticleinfo.hpp 912 bytes ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_trajectoryparticleinfo.cpp 441 bytes ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_trajectoryparticle.hpp 2.1 KB ​ 94d0ad   16 years FrederikHeber Begun with ticket #38 (make const what is const). - basically all …
atom_trajectoryparticle.cpp 9.6 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
atom_particleinfo.hpp 909 bytes ​ 7bfc19   16 years Till Crueger Made the world solely responsible for creating and destroying atoms.
atom_particleinfo.cpp 682 bytes ​ 98a2987   16 years Till Crueger Added -Wall flag and fixed several small hickups
atom_graphnodeinfo.hpp 1.4 KB ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_graphnodeinfo.cpp 477 bytes ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_graphnode.hpp 846 bytes ​ 543ce4   16 years FrederikHeber Huge change from ofstream * (const) out --> Log(). - first shift was …
atom_graphnode.cpp 1.0 KB ​ 418117a   16 years FrederikHeber Verbosity corrected for ERROR and WARNING - present ERROR and WARNING …
atom_bondedparticleinfo.hpp 1012 bytes ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_bondedparticleinfo.cpp 360 bytes ​ 2e2a70   16 years FrederikHeber Refactored atom.cpp into multiple files. After the class atom was …
atom_bondedparticle.hpp 1.3 KB ​ 6d0fcaa   16 years FrederikHeber Possibility to store all bonds to file added. So far we only could …
atom_bondedparticle.cpp 5.4 KB ​ 6d0fcaa   16 years FrederikHeber Possibility to store all bonds to file added. So far we only could …
atom_atominfo.hpp 1.0 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
atom_atominfo.cpp 553 bytes ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
atom.hpp 3.6 KB ​ 5dba7a   16 years Till Crueger Made the periodentafel use STL-containers instead of custom llists
atom.cpp 9.4 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
analyzer.cpp 33.7 KB ​ e6fe8a   16 years FrederikHeber cstring header was missing in files, supplying definition of strlen, …
analysis_correlation.hpp 5.2 KB ​ 1c7aed   16 years FrederikHeber Output....Correlation() don't prepend header line with '#', BinData() …
analysis_correlation.cpp 18.7 KB ​ 1f591b   16 years Till Crueger Prepared interface of Vector Class for transition to VectorComposites
analysis_bonds.hpp 820 bytes ​ e462b3   16 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
analysis_bonds.cpp 2.4 KB ​ e462b3   16 years FrederikHeber Two new bond analysis functions. - GetMaxMinMeanBondCount() - …
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