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Add unit tests for selection position calculation.
2013-07-25
Teemu Murtola
Add unit t
e
st
s
for selection position calculation
.
commit
|
commitdiff
|
tree
2013-07-24
Teemu Murtola
Fix pthre
a
d
d
etection for GMock
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
Conven
i
e
n
c
e
methods
f
or
i
mplementing main()
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
Improve program na
m
e
r
e
p
orting
.
commit
|
commitdiff
|
tree
2013-07-22
Teemu Murtola
Fi
x
D
oxygen warnings
.
commit
|
commitdiff
|
tree
2013-07-21
Teemu
M
urtola
Uniform "genera
t
ed by" in
f
o
rmat
i
on in out
p
ut files
.
commit
|
commitdiff
|
tree
2013-07-21
Te
e
mu Murtola
More files to C++
.
commit
|
commitdiff
|
tree
2013-07-20
Teemu Mu
r
t
o
l
a
Options for contro
l
ling
star
t
up ou
t
put
.
commit
|
commitdiff
|
tree
2013-07-20
Teemu M
u
rtola
Be less verbo
s
e
with pro
g
r
a
m optio
n
s
.
commit
|
commitdiff
|
tree
2013-07-19
Teem
u
Mu
r
tola
Pre-emptively fix some C++ war
n
i
n
gs
.
commit
|
commitdiff
|
tree
2013-07-19
Teemu Murtola
Uni
f
orm a
n
d
less verbose
s
tartup for all bi
n
a
r
ies
.
commit
|
commitdiff
|
tree
2013-07-19
Teemu
Murtola
Extract Dox
y
gen comments
within #ifdef __cplusplus
.
commit
|
commitdiff
|
tree
2013-07-17
Teemu Mur
t
ola
Supp
o
rt
for s
t
oring multip
o
int analysis data
.
commit
|
commitdiff
|
tree
2013-07-03
Teemu Murtola
S
p
lit Ana
l
ysisDa
t
aStorag
e
Frame into
t
wo
.
commit
|
commitdiff
|
tree
2013-07-03
Teem
u
Murtola
Switch remaining mai
n
()
f
u
nct
i
on
s
and copyrite
.
c
t
o
.
.
.
commit
|
commitdiff
|
tree
2013-07-03
Teem
u
Murto
l
a
Remove g_
h
ig
h
way and vbox
.
c
.
commit
|
commitdiff
|
tree
2013-07-03
Teem
u
Murtola
Further copyrite
.
h
clean
u
p
.
commit
|
commitdiff
|
tree
2013-06-30
Teemu
Murtola
Script f
o
r runnin
g
uncr
u
stify for mo
d
ified
f
iles
.
commit
|
commitdiff
|
tree
2013-06-28
T
eemu
M
urto
l
a
Fix
o
v
e
reage
r
V
d
W r
a
dii chan
g
e no
t
e
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Mu
r
tola
More flexible position input for nbsearch
r
outines
.
commit
|
commitdiff
|
tree
2013-06-27
Tee
m
u Murt
o
l
a
C++-ify anal
y
sis nbs
e
ar
c
h more
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Remo
v
e
C API for
ana
l
ysis neighborhoor search
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murt
o
la
Better
concurrency
s
u
p
port for
a
nalysis nbsearch
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu M
u
rtola
Fi
x
analysi
s
ne
i
ghborhood sear
c
h for 2D/screw PBC
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murt
o
l
a
Proper C++
A
P
I
for
a
nalysis neighborhoo
d
sear
c
h
.
commit
|
commitdiff
|
tree
2013-06-27
T
e
emu Murtola
Fi
x
some issues found by cppc
h
eck
-
1
.
5
8
.
commit
|
commitdiff
|
tree
2013-06-27
Teemu Murtola
Mor
e
binar
i
es into
t
he wrapper binary
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murtola
C
l
ean up copyrite
.
*
.
commit
|
commitdiff
|
tree
2013-06-24
T
e
emu M
u
rtola
M
o
ve FFT ro
u
tines to src/
g
ro
m
acs/
f
ft/
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu Murt
o
la
Restr
u
c
tu
r
e Analysis
D
ata uni
t
tests
.
commit
|
commitdiff
|
tree
2013-06-24
Teemu
Murtola
More flexible input data for analysi
s
data tests
.
commit
|
commitdiff
|
tree
2013-06-17
Teem
u
Mu
r
tola
Add unit
t
ests
f
or selection index mapping
.
commit
|
commitdiff
|
tree
2013-06-17
Teemu Murtola
Unif
o
rm i
n
i
tia
l
ization for analysisda
t
a
t
ests
.
commit
|
commitdiff
|
tree
2013-06-17
Teem
u
M
urtola
Se
p
arate topology handling in selection tests
.
commit
|
commitdiff
|
tree
2013-06-14
Teemu
Mu
r
to
l
a
I
m
p
r
ove
r
eference data checks
a
ga
i
ns
t
same data
.
commit
|
commitdiff
|
tree
2013-06-13
Teemu Murtola
Add
e
d
abilit
y
to use cppcheck from the command
l
in
e
.
commit
|
commitdiff
|
tree
2013-06-12
Teemu Murtola
Better avera
g
ing for analysis data modules
.
commit
|
commitdiff
|
tree
2013-06-11
Teemu M
u
rtola
Move wman
.
* to src/gromacs/o
n
linehelp/
.
commit
|
commitdiff
|
tree
2013-06-04
T
eem
u
M
u
rtola
S
plit
c
m
a
ke threa
d
detection
into core
thread and threa
d
_
m
pi
.
commit
|
commitdiff
|
tree
2013-05-30
Teemu
M
u
r
t
ola
On
l
y bui
l
d ba
s
e thread su
p
port with GMX_THREAD_MPI
.
.
.
commit
|
commitdiff
|
tree
2013-05-28
Teemu
M
u
r
tola
Fix an error in selecti
o
n on
l
in
e
he
l
p
.
commit
|
commitdiff
|
tree
2013-05-24
Teemu Murto
l
a
Me
r
ge branc
h
'
r
elease-
4
-6'
commit
|
commitdiff
|
tree
2013-05-22
T
e
emu Mur
t
ola
Add a fe
w
seq
u
ence diagrams to Doxygen docs
.
commit
|
commitdiff
|
tree
2013-04-29
Teemu Murtola
Remove gmx_ana_index_t::
n
a
m
e and u
n
used c
o
de
.
commit
|
commitdiff
|
tree
2013-04-19
Teemu Murtola
Mer
g
e
branch 'r
e
lease-4-5-patches
'
commit
|
commitdiff
|
tree
2013-04-17
T
e
e
mu
M
ur
t
ola
A
d
d check for empty
s
e
l
ec
t
ion
s
.
commit
|
commitdiff
|
tree
2013-04-17
Teemu Murtola
Implement remaining Se
l
ect
i
onOpti
o
n flags
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Murtola
F
i
x anothe
r
bu
g
in selec
t
ion subexpression handling
.
commit
|
commitdiff
|
tree
2013-04-10
Te
e
m
u
Murtola
Fix bug
in s
e
lection subexpression hand
l
ing
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Murtol
a
Merge "Merge rel
e
ase
-
4-5
-
patches
i
nto release-
4
-6"
.
.
.
commit
|
commitdiff
|
tree
2013-04-10
Teemu Mur
t
ol
a
Fix
anoth
e
r
b
u
g
i
n
sele
c
tion subexpression handlin
g
.
commit
|
commitdiff
|
tree
2013-04-07
T
e
emu M
u
rtola
Fix bug in sele
c
tio
n
subexpression handling
.
commit
|
commitdiff
|
tree
2013-03-26
T
e
emu Murt
o
la
Improve master-s
p
e
c
ific
C
Make behavior
.
commit
|
commitdiff
|
tree
2013-03-26
Teemu Murtola
Add histogr
a
m output f
o
r 'gmx gangle'
.
commit
|
commitdiff
|
tree
2013-03-24
Teemu M
u
rtola
Merge libgmxana int
o
libgromacs
.
commit
|
commitdiff
|
tree
2013-03-22
Teem
u
Mur
t
o
la
Merge "Merg
e
release-4-6 into maste
r
"
commit
|
commitdiff
|
tree
2013-03-08
T
eemu Mu
r
tola
Be
t
t
e
r test assert
i
ons
f
or exception
s
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu
M
urtola
Impr
o
ve enum option in
t
erfac
e
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Murtola
Mor
e
fle
x
ible h
a
n
dling of enum opti
o
n
descr
i
ptio
n
s
.
commit
|
commitdiff
|
tree
2013-03-07
Teemu Murto
l
a
Fix copyright no
t
ice
s
for ne
w
C++ code
.
commit
|
commitdiff
|
tree
2013-03-07
T
eemu Murtola
Update my e-mail address on aut
h
or lines
.
commit
|
commitdiff
|
tree
2013-03-07
T
eemu Murtola
Merg
e
"Uncr
u
stify tem
p
l
a
t
e
.
cpp and selec
t
ion
.
cpp
.
"
commit
|
commitdiff
|
tree
2013-03-07
T
e
emu Murtola
Me
r
ge "Merge r
e
lease-
4
-6
in
t
o mast
e
r"
commit
|
commitdiff
|
tree
2013-02-25
T
e
emu Murt
o
l
a
Uncrustify tem
p
la
t
e
.
cpp and sele
c
tion
.
cpp
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu Murtola
F
i
x vel
o
city and forc
e
evaluation for empty
selec
t
ions
.
commit
|
commitdiff
|
tree
2013-02-13
Tee
m
u Murtola
Ch
a
nge ConstAr
r
ayRef constructor argument or
d
er
.
commit
|
commitdiff
|
tree
2013-02-13
T
eemu Murtola
Add continuous array
a
ccessors for sele
c
tion data
.
commit
|
commitdiff
|
tree
2013-02-13
Teemu Murtola
Add
t
e
s
ts fo
r
selectio
n
mass e
v
aluatio
n
and fix it
.
commit
|
commitdiff
|
tree
2013-02-10
Teemu Murto
l
a
Manual reformattin
g
in prep
a
ration for uncrustify
.
commit
|
commitdiff
|
tree
2013-01-13
Teemu
M
urtola
Remove unuse
d
bf
u
n
c
.
h
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu Murtola
Me
r
ge
"Minor fixes to g
_
angle
h
elp
description
.
" in
t
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu
Murto
l
a
Merge "add an
option
to not buil
d
the temp
l
a
te" into
.
.
.
commit
|
commitdiff
|
tree
2013-01-04
Teemu Murtola
Mer
g
e "Add
missing
d
efines to PKG_CFLAGS" into r
e
le
a
se
-
4-6
commit
|
commitdiff
|
tree
2013-01-04
Tee
m
u
M
urtola
Me
r
ge "Fixed e
r
ror me
s
sage
for zwitterion res
i
dues
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Teemu Mu
r
tola
Remove
non-func
t
iona
l
PowerPC inv
s
qrt
.
commit
|
commitdiff
|
tree
2012-12-30
Tee
m
u Murtola
Remov
e
superfluous memory
allocation
.
commit
|
commitdiff
|
tree
2012-12-21
Teemu Murtola
Make gmx_cpuid
.
h self-standing
.
commit
|
commitdiff
|
tree
2012-12-21
Te
e
mu Murto
l
a
Re
m
ove no
n
-func
t
io
n
al comp
i
le
r
overri
d
e for MacO
S
X
.
commit
|
commitdiff
|
tree
2012-12-17
Te
e
mu
Murtola
Fix
l
icen
s
e t
e
xt p
r
inted by programs
.
commit
|
commitdiff
|
tree
2012-12-10
Teemu Murtola
Renam
e
g_ana to gmx
.
commit
|
commitdiff
|
tree
2012-12-10
T
eemu
M
urt
o
la
Replace most tools with symlinks
to g_ana
.
commit
|
commitdiff
|
tree
2012-12-10
Teemu Murtola
Wrapper module to add o
l
d bi
n
aries into g_ana
.
commit
|
commitdiff
|
tree
2012-12-06
Teem
u
Murtola
Fix build of te
m
plate and other external code
.
commit
|
commitdiff
|
tree
2012-11-25
Te
e
mu Murtola
Exten
d
ed build information output and
reference
build
.
.
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu
Murtola
Option to c
r
e
ate s
y
mlinks to g_ana
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
Always
use relative install
p
aths
.
commit
|
commitdiff
|
tree
2012-11-10
Teemu Murtola
Remove obsolete G
M
X_THREAD_SHM_
F
DECOMP
.
commit
|
commitdiff
|
tree
2012-11-08
Teemu Murtola
Include Gromacs f
i
l
e
s
w
ith double quotes in C++ code
.
commit
|
commitdiff
|
tree
2012-11-08
T
eemu
Murtola
Rem
o
v
e unnecessar
y
config
.
h includes i
n
C
+
+
c
od
e
.
commit
|
commitdiff
|
tree
2012-10-27
Teemu Murt
o
la
Clean up git version
generation
.
commit
|
commitdiff
|
tree
2012-10-16
Teemu Murt
o
la
Script for an
a
ly
z
ing inc
l
ude
d
ependencies
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Murt
o
la
Cl
e
an up g_ana angle implemen
t
at
i
on
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Murtola
Extract Doxyge
n
d
ocs for
anonymous namesp
a
ces
.
commit
|
commitdiff
|
tree
2012-10-15
Teemu Mur
t
o
l
a
Fix m
o
st warnings
with Doxygen 1
.
8
.
1
.
1
.
commit
|
commitdiff
|
tree
2012-10-15
Tee
m
u Murtola
Remo
v
e explicit end
-
of-array mark
e
rs
from t
e
sts
.
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Unit t
e
st
s
f
or inso
l
idangle
selec
t
ions
.
commit
|
commitdiff
|
tree
2012-10-04
T
e
e
m
u Murtola
Add o
c
c
u
pied fr
a
c
tion
and PDB output
t
o g_ana
select
.
commit
|
commitdiff
|
tree
2012-10-04
Teemu
Murtola
Upda
t
e valgr
i
n
d
suppressions after mem l
e
ak fixes
.
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murt
o
l
a
Support C++11
<regex> a
s
a
lte
r
nat
i
ve
t
o
P
OSIX
r
ege
x
.
h
.
commit
|
commitdiff
|
tree
2012-10-04
Tee
m
u Murtola
Enca
p
s
ulate reg
e
xp u
s
e in selections
.
commit
|
commitdiff
|
tree
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