Convert all 0/1 flags to True, False in the python interface

[jonaslandsgesell]

E.g. (and at all the other occations - which one would need to find)

system.constraints.add(particle_type=0, penetrable=0, only_positive=0, shape=floor)

should read:

system.constraints.add(particle_type=0, penetrable=False, only_positive=False, shape=floor)

this can be easily achieved e.g. in the interface. It would be a task for a Hiwi.

[hmenke]

That is probably a remnant from the TCL interface. On the other hand, the integers are implicitly convertible to boolean, so the “wrong” syntax will remain valid. Furthermore I believe that particle_type should not be a boolean.

Relevant lines:

espresso/src/core/constraints/ShapeBasedConstraint.hpp

Lines 47 to 48 in ea28f3c

	int &only_positive() { return m_only_positive; }
	int &penetrable() { return m_penetrable; }

espresso/src/core/constraints/ShapeBasedConstraint.hpp

Lines 67 to 68 in ea28f3c

	int m_penetrable;
	int m_only_positive;

All the rest is done by type inference in the AutoParameters magic.

[fweik]

The only implicit type conversions in the script interface are int -> float, this is on purpose because implicit conversions are evil. For the constraints class you can just change the core variable to bool, the rest is automatic, as Henri pointed out.

[jonaslandsgesell]

I want this to be replaced everywhere, shape based constraints are not the only occasion. Another arbitrary occasion is create_polymer(...,constraints=0) etc. I guess there are so many occasions that a student assistent could look for all these occasions and remove them.
Another arbitrary example is system.periodicity=[0,1,0], which coule more intuitively be [False, True, False]