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rename variable special function to retrieve types for labels to label2type()

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Axel Kohlmeyer
2022-09-06 18:19:27 -04:00
parent 3b6a06fcf5
commit 1d986280ce
3 changed files with 46 additions and 82 deletions
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22
doc/src/variable.rst
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@ -66,8 +66,7 @@ Syntax
bound(group,dir,region), gyration(group,region), ke(group,reigon),
angmom(group,dim,region), torque(group,dim,region),
inertia(group,dimdim,region), omega(group,dim,region)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name)
labelmap functions = label(typelabel), blabel(typelabel), alabel(typelabel), dlabel(typelabel), ilabel(typelabel)
special functions = sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), is_file(name), is_os(name), extract_setting(name), label2type(kind,label)
feature functions = is_active(category,feature), is_available(category,feature), is_defined(category,id)
atom value = id[i], mass[i], type[i], mol[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i], q[i]
atom vector = id, mass, type, mol, x, y, z, vx, vy, vz, fx, fy, fz, q
@ -506,9 +505,7 @@ references, and references to other variables.
+--------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Region functions | count(ID,IDR), mass(ID,IDR), charge(ID,IDR), xcm(ID,dim,IDR), vcm(ID,dim,IDR), fcm(ID,dim,IDR), bound(ID,dir,IDR), gyration(ID,IDR), ke(ID,IDR), angmom(ID,dim,IDR), torque(ID,dim,IDR), inertia(ID,dimdim,IDR), omega(ID,dim,IDR) |
+--------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x) |
+--------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Labelmap functions | label(typelabel), blabel(typelabel), alabel(typelabel), dlabel(typelabel), ilabel(typelabel) |
| Special functions | sum(x), min(x), max(x), ave(x), trap(x), slope(x), gmask(x), rmask(x), grmask(x,y), next(x), label2type(kind,label) |
+--------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
| Atom values | id[i], mass[i], type[i], mol[i], x[i], y[i], z[i], vx[i], vy[i], vz[i], fx[i], fy[i], fz[i], q[i] |
+--------------------+-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------+
@ -965,18 +962,11 @@ types, bond types and so on. For the full list of available keywords
*name* and their meaning, see the documentation for extract_setting()
via the link in this paragraph.
----------
Labelmap Functions
------------------
Labelmap functions convert type labels into numeric types, using label
The label2type() function converts type labels into numeric types, using label
maps created by the :doc:`labelmap <labelmap>` or :doc:`read_data <read_data>`
commands. Their argument must be a valid type label, and they return
the corresponding integer numeric type. The argument for the *label()*\ ,
*blabel()*\ , *alabel()*\ , *dlabel()*\ , and *ilabel()* functions,
must be an atom, bond, angle, dihedral, or improper type label,
respectively.
commands. The first argument must be label map kind (atom, bond, angle,
dihedral, or improper) and the second argument the label. Iwill return
the corresponding integer numeric type.
----------