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Refactor for testing interactive selection input
2015-07-04
Teemu M
u
r
tol
a
Re
f
actor
for test
i
ng inter
a
c
t
ive s
e
lection input
commit
|
commitdiff
|
tree
2015-07-04
Teemu
M
u
r
tola
R
emove gmx::File (except f
o
r F
i
le:
:
e
xi
s
ts(
)
)
commit
|
commitdiff
|
tree
2015-07-04
Teem
u
Mu
r
t
ola
R
e
place direct
u
s
es
of gmx::File with
streams
commit
|
commitdiff
|
tree
2015-07-04
Te
e
mu Murtola
Bump
vario
u
s ve
r
sion
n
u
mbers
commit
|
commitdiff
|
tree
2015-07-04
Teem
u
Murtola
Make so
m
e
u
nit tests use moc
k
file output
commit
|
commitdiff
|
tree
2015-07-02
Tee
m
u
Murtol
a
Convert g
m
x
fio to
C
+
+
commit
|
commitdiff
|
tree
2015-07-02
T
e
emu Murt
o
la
Clean up gmxfio includes
commit
|
commitdiff
|
tree
2015-07-02
Teemu Murtola
R
e
o
r
der
code within
gmxfio
commit
|
commitdiff
|
tree
2015-07-02
Te
e
mu Mu
r
tola
Further gmxfio cleanup
r
elated to xdr handl
i
ng
commit
|
commitdiff
|
tree
2015-07-02
Teemu Mu
r
tola
Mino
r
include so
r
tin
g
changes
commit
|
commitdiff
|
tree
2015-07-01
Te
e
mu
M
urt
o
l
a
Clean
u
p unu
s
ed
c
ode from gmxfio
commit
|
commitdiff
|
tree
2015-06-29
Teemu
Murtola
O
nly accept exact matc
h
es for selecti
o
n keyw
o
rds
commit
|
commitdiff
|
tree
2015-06-29
Te
e
mu Murtola
Make
s
ome
u
n
i
t tests skip file system
a
cce
s
s
commit
|
commitdiff
|
tree
2015-06-27
Te
e
mu Murtola
Docum
e
nt t
o
o
l chang
e
s in 5
.
1
commit
|
commitdiff
|
tree
2015-06-25
Teemu Murtola
Move docume
n
tation on tool
changes
from wiki
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Minor clean up for refdata
.
*
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Improv
e
log
i
c
for aut
o
m
a
t
ic
sele
c
tion
n
a
m
e
s
commit
|
commitdiff
|
tree
2015-06-16
Teemu Murt
o
la
Fix broken l
i
nks from the old
flow char
t
commit
|
commitdiff
|
tree
2015-06-12
T
eem
u
Murtola
Update h
e
lp out
p
ut
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtola
Improve un
c
rustify Jenkins bui
l
ds
commit
|
commitdiff
|
tree
2015-06-12
T
eemu Murtola
I
n
itial docs fo
r
Jen
k
ins
i
n
tegration
commit
|
commitdiff
|
tree
2015-06-12
T
eemu
M
urt
o
la
In
i
t
i
a
l
b
uild syst
e
m docume
n
t
ati
o
n i
n
d
e
v guide
commit
|
commitdiff
|
tree
2015-06-12
Teemu
Mu
r
tola
Improve J
e
n
ki
n
s do
c
s
build
commit
|
commitdiff
|
tree
2015-06-12
Teem
u
Murtola
Ex
t
end so
u
rce layout description i
n
dev gu
i
de
commit
|
commitdiff
|
tree
2015-06-11
Teem
u
Murtola
Script
fo
r
Jenkins docum
e
ntation
build
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
Misc
.
improve
m
ents to
docs buil
d
system
commit
|
commitdiff
|
tree
2015-06-09
Te
e
mu
M
ur
t
ola
Add description
o
f re
l
ocatable binaries
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murto
l
a
Re
s
olve o
n
e TODO for com
m
and line
help tests
commit
|
commitdiff
|
tree
2015-06-09
Te
e
mu Murtola
Imp
r
ove user gu
i
d
e text for
c
ommand
line
i
nterf
a
ce
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
Fix
p
otentia
l
FPE in
s
elect
i
on tests
commit
|
commitdiff
|
tree
2015-06-04
T
e
em
u
Murto
l
a
Refac
t
or rst
p
a
r
sing fo
r
console output
commit
|
commitdiff
|
tree
2015-06-04
Teemu Mu
r
t
o
la
Replace gromacs
.
7
m
a
n page with gmx
.
1
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
Document curr
e
nt he
l
p forma
t
ting
commit
|
commitdiff
|
tree
2015-06-04
Te
e
mu Murtola
Bas
i
c support for ti
t
les wit
h
in tool help
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtol
a
Su
p
port
r
st
t
ables in to
o
l help texts
commit
|
commitdiff
|
tree
2015-05-28
Te
e
mu Murtola
Improve lists in u
s
er guide
f
o
r selec
t
ions
commit
|
commitdiff
|
tree
2015-05-28
Teemu M
u
rtola
Additio
n
al selection exam
p
les
commit
|
commitdiff
|
tree
2015-05-25
Teemu Murtola
Ov
e
rv
i
e
w docs
for an
a
lysis nbsearch
commit
|
commitdiff
|
tree
2015-05-24
Teemu Murt
o
la
Include selecti
o
n
keyword de
t
ails in user guide
commit
|
commitdiff
|
tree
2015-05-22
T
e
emu Murtola
Al
l
ow any order for sections in
'gmx h
e
l
p
-ex
p
ort'
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtola
Base to g
e
t all 'gmx help' contents to
u
ser gu
i
de
commit
|
commitdiff
|
tree
2015-05-22
Tee
m
u Murtola
Merge
release-5-0 into mas
t
e
r
commit
|
commitdiff
|
tree
2015-05-22
T
e
e
m
u Murtola
Avoid c
r
ash with empty
reference for 's
a
m
e
as' selection
commit
|
commitdiff
|
tree
2015-05-22
Teemu
M
urtola
Add subsection de
p
th to HelpWr
i
t
e
rContext
commit
|
commitdiff
|
tree
2015-05-22
Teemu
Murtola
Add note about atom order in selections
commit
|
commitdiff
|
tree
2015-05-21
Teemu Mur
t
ola
Restructure C
o
m
mandLineMod
u
leM
a
nager tests
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
Fi
x
handling of real
-
v
alued
'
t
o
' selection
ranges
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
F
ix
d
ependencies for r
e
gr
e
s
s
ion
t
est cus
t
o
m
t
arget
commit
|
commitdiff
|
tree
2015-05-20
T
e
emu Murto
l
a
Some
t
ests for 'gmx hel
p
-export r
s
t'
commit
|
commitdiff
|
tree
2015-05-18
Teemu Murt
o
la
Merge "Merge b
r
a
n
ch
origin
/
r
elease-5-0"
commit
|
commitdiff
|
tree
2015-05-17
Te
e
mu Murtola
Move a few defines
to bui
l
d
info
.
h
commit
|
commitdiff
|
tree
2015-05-13
Te
e
mu Murto
l
a
Remove remaining o
l
d-
h
tml
con
t
ent
commit
|
commitdiff
|
tree
2015-05-11
Te
e
mu Murt
o
la
Use sing
l
e variable for expecte
d
Doxygen v
e
rsion
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
Mov
e
some testutils and overview doc
s
to dev guide
commit
|
commitdiff
|
tree
2015-05-10
Teemu
Murt
o
la
Print corr
e
c
t
ord
e
r
f
o
r include orde
r
/s
t
y
l
e issues
commit
|
commitdiff
|
tree
2015-05-10
Teemu
Murtola
Impro
v
e bui
l
d syste
m
for Sph
i
nx
commit
|
commitdiff
|
tree
2015-05-10
Te
e
mu Mu
r
tola
Convert
developer manual to rst
commit
|
commitdiff
|
tree
2015-05-05
Te
e
mu
Murtola
Avoid rounding errors affectin
g
results in one t
e
s
t
commit
|
commitdiff
|
tree
2015-04-24
Tee
m
u Murtol
a
Add secti
o
n
on
namin
g
con
v
e
n
t
ions to dev
m
anual
commit
|
commitdiff
|
tree
2015-02-13
T
eemu M
u
rtola
Replace more [BR] with
r
s
t bullet lis
t
s
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replac
e
some [BR] in help tex
t
s with rst lite
r
a
ls
commit
|
commitdiff
|
tree
2015-02-13
Te
e
mu
M
ur
t
ola
Mov
e
f
l
ow chart from old-html to Sph
i
nx
commit
|
commitdiff
|
tree
2015-02-13
Te
e
mu Murtola
Make (most)
HTML l
i
nks to
f
ile form
a
ts
work
a
gain
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Convert fi
l
e format descrip
t
ions
t
o rst
commit
|
commitdiff
|
tree
2015-02-13
Te
e
mu Murtola
Ge
n
erate man pages throug
h
Sphin
x
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace
tool H
T
ML help with Sphinx
-
generated docs
commit
|
commitdiff
|
tree
2015-02-07
Teemu Murtola
Support mo
r
e complex fixed po
s
ition
selections
commit
|
commitdiff
|
tree
2015-01-29
Teemu
Murtola
Add inpu
t
fi
l
e
options that accept missing
f
iles
commit
|
commitdiff
|
tree
2015-01-24
T
eemu Murtola
Remov
e
o
l
d
se
l
ecti
o
n
p
arse
r
err
o
r handling cod
e
commit
|
commitdiff
|
tree
2015-01-24
Teemu Murtola
Improve
selection error messages
(
use exceptions)
commit
|
commitdiff
|
tree
2015-01-23
Teemu Mur
t
ola
I
gnore test-only d
e
pe
n
dency cy
c
les
commit
|
commitdiff
|
tree
2015-01-20
T
eemu Mur
t
ola
Make data file
p
ath search
m
ore
r
e
usa
b
l
e
commit
|
commitdiff
|
tree
2015-01-20
Teemu
M
urtola
Convert fo
r
ce
f
ield
search to
C++
commit
|
commitdiff
|
tree
2015-01-19
Teemu Mur
t
ola
Remove Analy
s
isNeighbo
r
hood::setUseBou
n
din
g
Box()
commit
|
commitdiff
|
tree
2015-01-17
Teemu Murtola
Mer
g
e
"Mer
g
e br
a
nch r
e
lease-5-0"
commit
|
commitdiff
|
tree
2015-01-08
Teemu Murtola
Re
f
a
c
tor logic
for f
i
nding s
h
a
re/top/ files
commit
|
commitdiff
|
tree
2015-01-08
Teemu Murtola
Closed some
.
xvg files
t
h
a
t were being left
o
pen
commit
|
commitdiff
|
tree
2015-01-07
Te
e
mu
M
urtola
Custom progra
m
context for u
n
i
t
tests
commit
|
commitdiff
|
tree
2015-01-07
Teem
u
Mur
t
ola
Split unit test init from testoptions
.
cpp
commit
|
commitdiff
|
tree
2015-01-06
T
eemu
M
urtola
Use an
a
lysi
s
nbsearch for sur
f
ac
e
area calcu
l
ation
commit
|
commitdiff
|
tree
2015-01-06
Teemu Murtola
Use xvgrclo
s
e() for
f
iles ope
n
ed with xvgropen(
)
commit
|
commitdiff
|
tree
2015-01-05
Tee
m
u Murtola
Support subs
e
t of rve
c
array as input for ana
l
y
sis
.
.
.
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murt
o
la
Mi
n
i
m
al C
+
+ re
p
lacement for
r
v
ec
commit
|
commitdiff
|
tree
2015-01-05
Teemu Mur
t
ola
C
l
a
ri
f
y GMX_MPI management
commit
|
commitdiff
|
tree
2015-01-03
Teemu
Mu
r
to
l
a
Mi
n
or sele
c
tion clarifications
commit
|
commitdiff
|
tree
2015-01-03
Teem
u
Murt
o
la
Fix cr
a
sh wi
t
h 'z of
.
.
.
' with
i
n an expres
s
ion
commit
|
commitdiff
|
tree
2015-01-02
Teemu M
u
rtola
Update copyrig
h
t y
e
ar
i
n
c
opyrite
.
cpp
commit
|
commitdiff
|
tree
2014-12-28
Teemu Murtola
Co
n
vert gmx-insert-molecules into
p
r
o
per C++ m
o
dule
commit
|
commitdiff
|
tree
2014-12-28
Teemu Murtola
Add helper f
o
r generic C
+
+
command-lin
e
modules
commit
|
commitdiff
|
tree
2014-12-18
Teemu
Mur
t
ola
Re
w
ork
gmx-solvate to us
e
a
n
alys
i
s
nbsearch
commit
|
commitdiff
|
tree
2014-12-17
Teemu Murt
o
l
a
Make
'
gmx sas
a
' c
a
lcu
l
ation
thread-
s
a
f
e
commit
|
commitdiff
|
tree
2014-12-17
Teemu Murtola
Remov
e
some b
a
ckwards-co
m
pati
b
ility glue for Jenkin
s
commit
|
commitdiff
|
tree
2014-12-16
Teem
u
Murt
o
l
a
Make 'gmx sasa' volume
c
o
m
p
u
tation translation
-
invarian
t
commit
|
commitdiff
|
tree
2014-12-15
Teemu Mur
t
ola
Use ne
w
X
ML format with cppcheck
commit
|
commitdiff
|
tree
2014-12-14
Tee
m
u Mur
t
ola
C
++ interface for
surface area calculation
commit
|
commitdiff
|
tree
2014-12-11
Teemu Murtola
Conv
e
r
t
g
m
x rdf t
o
the C++ framework
commit
|
commitdiff
|
tree
2014-12-10
Teem
u
Murtola
Fix misc
.
a
n
alys
i
s neighborhood
sea
r
c
h
issues
commit
|
commitdiff
|
tree
2014-12-09
Teemu Murto
l
a
Track
lo
c
ation
s
for selec
t
ion pars
i
ng products
commit
|
commitdiff
|
tree
2014-12-08
Tee
m
u Murtola
Rectangula
r
gri
d
for ana
l
y
s
i
s
n
bsearch
commit
|
commitdiff
|
tree
2014-12-06
T
eemu Mu
r
tola
Simplify an
a
lys
i
sdata
p
a
ralle
l
is
m
mode
l
commit
|
commitdiff
|
tree
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