.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.47.4.
.TH ASE-DB "1" "July 2017" "ase-db 3.14.1" "User Commands"
.SH NAME
ase-db \- Put stuff into or query database
.SH DESCRIPTION
Please use "ase db" instead of "ase\-db"
usage: ase db [\-h] [\-v] [\-q] [\-n] [\-l] [\-i db\-name] [\-a filename]
.IP
[\-k key1=val1,key2=val2,...] [\-L N] [\-\-offset N] [\-\-delete]
[\-\-delete\-keys key1,key2,...] [\-y] [\-\-explain]
[\-c col1,col2,...] [\-s column] [\-\-cut CUT] [\-p x,y1,y2,...]
[\-P name] [\-\-csv] [\-w] [\-\-no\-lock\-file] [\-\-analyse] [\-j] [\-m]
[\-\-set\-metadata something.json] [\-M something.py] [\-\-unique]
database [query [query ...]]
.PP
Selection is a comma\-separated list of selections where each selection is of
the type "ID", "key" or "key=value". Instead of "=", one can also use "<",
"<=", ">=", ">" and "!=" (these must be protected from the shell by using
quotes). Special keys: id, user, calculator, age, natoms, energy, magmom, and
charge. Chemical symbols can also be used to select number of specific atomic
species (H, He, Li, ...). Selection examples: 'calculator=nwchem', 'age<1d',
\&'natoms=1', 'user=alice', '2.2<bandgap<4.1', 'Cu>=10'
.SS "positional arguments:"
.IP
database
query
.SS "optional arguments:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.HP
\fB\-v\fR, \fB\-\-verbose\fR
.HP
\fB\-q\fR, \fB\-\-quiet\fR
.TP
\fB\-n\fR, \fB\-\-count\fR
Count number of selected rows.
.TP
\fB\-l\fR, \fB\-\-long\fR
Long description of selected row
.TP
\fB\-i\fR db\-name, \fB\-\-insert\-into\fR db\-name
Insert selected rows into another database.
.TP
\fB\-a\fR filename, \fB\-\-add\-from\-file\fR filename
Add results from file.
.TP
\fB\-k\fR key1=val1,key2=val2,..., \fB\-\-add\-key\-value\-pairs\fR key1=val1,key2=val2,...
Add key\-value pairs to selected rows. Values must be
numbers or strings and keys must follow the same rules
as keywords.
.TP
\fB\-L\fR N, \fB\-\-limit\fR N
Show only first N rows (default is 20 rows). Use
\fB\-\-limit\fR=\fI\,0\/\fR to show all.
.TP
\fB\-\-offset\fR N
Skip first N rows. By default, no rows are skipped
.TP
\fB\-\-delete\fR
Delete selected rows.
.TP
\fB\-\-delete\-keys\fR key1,key2,...
Delete keys for selected rows.
.TP
\fB\-y\fR, \fB\-\-yes\fR
Say yes.
.TP
\fB\-\-explain\fR
Explain query plan.
.TP
\fB\-c\fR col1,col2,..., \fB\-\-columns\fR col1,col2,...
Specify columns to show. Precede the column
specification with a "+" in order to add columns to
the default set of columns. Precede by a "\-" to remove
columns. Use "++" for all.
.TP
\fB\-s\fR column, \fB\-\-sort\fR column
Sort rows using column. Use \fB\-column\fR for a descendin
sort. Default is to sort after id.
.TP
\fB\-\-cut\fR CUT
Cut keywords and key\-value columns after CUT
characters. Use \fB\-\-cut\fR=\fI\,0\/\fR to disable cutting. Default is
35 characters
.TP
\fB\-p\fR x,y1,y2,..., \fB\-\-plot\fR x,y1,y2,...
Example: "\-p x,y": plot y row against x row. Use "\-p
a:x,y" to make a plot for each value of a.
.TP
\fB\-P\fR name, \fB\-\-plot\-data\fR name
Show plot from data['name'] from the selected row.
.TP
\fB\-\-csv\fR
Write comma\-separated\-values file.
.TP
\fB\-w\fR, \fB\-\-open\-web\-browser\fR
Open results in web\-browser.
.TP
\fB\-\-no\-lock\-file\fR
Don't use lock\-files
.TP
\fB\-\-analyse\fR
Gathers statistics about tables and indices to help
make better query planning choices.
.TP
\fB\-j\fR, \fB\-\-json\fR
Write json representation of selected row.
.TP
\fB\-m\fR, \fB\-\-show\-metadata\fR
Show metadata as json.
.TP
\fB\-\-set\-metadata\fR something.json
Set metadata from a json file.
.TP
\fB\-M\fR something.py, \fB\-\-metadata\-from\-python\-script\fR something.py
Use metadata from a Python file.
.TP
\fB\-\-unique\fR
Give rows a new unique id when using \fB\-\-insert\-into\fR.