Added the notation *(*) to select all atoms except H in restraints

[pascal22p]

No description provided.

[richardicooper]

Build failures are due to a dependency not downloading - hopefully temporary problem.

[richardicooper]

Build and test is now OK. Is the 'do not merge' label related to this, or something else?

[richardicooper]

Code changes look fine.

[pascal22p]

Something else. I need more tests.

[richardicooper]

It looks like the new code doesn't warn on non-existent atoms anymore - the failing diff is in lexical.tst output - the old code prints a warning about C(128). The line looks strange though - what's the meaning of the next atom C(2,128)?

Comparing files lexical.out and MIN64GHGUI.ORG/LEXICAL.OUT
***** lexical.out
#LIST 16
#END
***** MIN64GHGUI.ORG/LEXICAL.OUT
#LIST 16
E Warning: UQISO 0.01 C(128) C(2, 128)
E ------------------^^^^^^^
E Warning: atom C(128) is not present in the model
#END

---

[pascal22p]

I fixed the warning on non-existing atom.
Also fixed a bug on symmetry operator check
Introduce a new bug I need to fix. comma is at the wrong place...

[pascal22p]

The piece of work left is this *(...) syntax to select atom where the * is any type.
Unfortunately * is also the sign for the multiplication....

I can work out most of the cases except this one:
*(3) which could be either:

• times 3
• any atom type with a serial of 3

The current syntax analyser would probably interpret this as a valid multiplication so will keep the current behaviour.

The rest is:

1. *(*): everything
2. *(*, part=2): all atoms in part 2
3. *(*, resi=3): all atoms in residue 3

I wondering if 2. and 3. is already possible. I have not checked yet.

[pascal22p]

rebased branch with master